{ "graph_id": "DrugCentral_Automat", "graph_name": "DrugCentral", "graph_description": "DrugCentral provides open-source data on active ingredients, chemical entities, pharmaceutical products, drug mode of action, indications, and pharmacologic action for approved drugs, derived from information provided by the US Food & Drug Administration, the European Medicines Agency, and the Pharmaceutical and Medical Devices Agency. Note that DrugCentral provides limited information on discontinued drugs and drugs approved outside of the US, but that information has not been validated.", "graph_url": "https://drugcentral.org/", "graph_version": "4d492047aa51f86f", "sources": [ { "source_id": "DrugCentral", "source_version": "11_1_2023", "parsing_version": "1.7", "supplementation_version": "1.1", "normalization_scheme": { "node_normalization_version": "2025sep1", "edge_normalization_version": "v4.3.6", "normalization_code_version": "1.4", "conflation": false, "strict": true }, "release_version": "daa43fe72b1e756c", "merge_strategy": null, "edge_merging_attributes": null, "edge_id_addition": false, "normalization_version": "2025sep1_v4.3.6_1.4_strict", "infores:drugcentral": { "id": "infores:drugcentral", "name": "DrugCentral", "description": "DrugCentral provides open-source data on active ingredients, chemical entities, pharmaceutical products, drug mode of action, indications, and pharmacologic action for approved drugs, derived from information provided by the US Food & Drug Administration, the European Medicines Agency, and the Pharmaceutical and Medical Devices Agency. Caveat: DrugCentral provides limited information on discontinued and drugs approved outside of the US, but users should be aware that that information has not been validated.", "url": "https://drugcentral.org/", "attribution": "https://drugcentral.org/about", "citation": "https://doi.org/10.1093/nar/gkw993", "license": "https://drugcentral.org/privacy", "contentUrl": "https://drugcentral.org/download", "fullCitation": "Ursu O, Holmes J, Knockel J, Bologa CG, Yang JJ, Mathias SL, Nelson SJ, Oprea TI. DrugCentral: online drug compendium. Nucleic Acids Res. 2017 Jan 4;45(D1):D932-D939. doi: 10.1093/nar/gkw993. Epub 2016 Oct 26. PMID: 27789690; PMCID: PMC5210665.", "isBasedOn": { "infores:chembl": { "id": "infores:chembl", "name": "ChEMBL", "url": "https://www.ebi.ac.uk/chembl/", "license": "CC BY-SA 3.0", "licenseUrl": "https://chembl.gitbook.io/chembl-interface-documentation/about" }, "infores:drugbank": { "id": "infores:drugbank", "name": "DrugBank", "url": "https://go.drugbank.com/", "license": "CC BY-NC 4.0 (Complete Database), CC0 1.0 (Open Data)", "licenseUrl": "https://go.drugbank.com/releases/latest#open-data" }, "infores:faers": { "id": "infores:faers", "name": "FDA Adverse Event Reporting System", "url": "https://open.fda.gov/data/faers/", "license": "Public Domain / CC0 1.0", "licenseUrl": "https://open.fda.gov/data/faers/" }, "infores:gtopdb": { "id": "infores:gtopdb", "name": "Guide to Pharmacology", "url": "https://www.guidetopharmacology.org/", "license": "CC BY-SA 4.0", "licenseUrl": "https://www.guidetopharmacology.org/download.jsp" }, "infores:kegg": { "id": "infores:kegg", "name": "Kyoto Encyclopedia of Genes and Genomes (KEGG)", "url": "https://www.genome.jp/kegg/", "license": "Proprietary (Kanehisa Laboratories) but free for academic web access", "licenseUrl": "https://www.kegg.jp/kegg/legal.html" }, "infores:pdsp": { "id": "infores:pdsp", "name": "Psychoactive Drug Screening Program", "url": "https://pdsp.unc.edu/", "license": "CC BY-NC-SA 4.0", "licenseUrl": "https://pdsp.unc.edu/" } } }, "normalized_nodes.jsonl": { "nodes": 13508 }, "normalized_edges.jsonl": { "edges": 273316 } }, { "source_id": "OntologicalHierarchy", "source_version": "2025-11-02", "parsing_version": "1.5", "supplementation_version": "1.1", "normalization_scheme": { "node_normalization_version": "2025sep1", "edge_normalization_version": "v4.3.6", "normalization_code_version": "1.4", "conflation": false, "strict": true }, "release_version": "e855b13b685fa645", "merge_strategy": "connected_edge_subset", "edge_merging_attributes": null, "edge_id_addition": false, "normalization_version": "2025sep1_v4.3.6_1.4_strict", "infores:ubergraph": { "id": "infores:ubergraph", "name": "Ubergraph Subclass Relationships", "description": "Subclass relationships from the redundant version of Ubergraph.", "url": "https://github.com/INCATools/ubergraph", "attribution": "https://github.com/INCATools/ubergraph", "citation": "https://doi.org/10.5281/zenodo.7249759", "license": "https://raw.githubusercontent.com/INCATools/ubergraph/master/LICENSE.txt", "contentUrl": "https://github.com/INCATools/ubergraph", "fullCitation": "Balhoff, J. P., Bayindir, U., Caron, A. R., Matentzoglu, N., Osumi-Sutherland, D., & Mungall, C. J. (2022, September 28). Ubergraph: integrating OBO ontologies into a unified semantic graph. ICBO 2022: International Conference on Biomedical Ontology (ICBO), Ann Arbor, Michigan, USA." }, "normalized_edges.jsonl": { "edges": 440472 }, "normalized_nodes.jsonl": { "nodes": 71610 } } ], "subgraphs": [], "build_status": "stable", "build_time": "2026-02-05T03:05:32", "build_error": null, "final_node_count": 85118, "final_edge_count": 653413, "merged_nodes": 0, "merged_edges": 0, "unmerged_edge_count": 0, "qc_results": { "pass": true, "warnings": {}, "errors": {}, "primary_knowledge_sources": [ "infores:chembl", "infores:drugbank", "infores:drugcentral", "infores:faers", "infores:gtopdb", "infores:kegg", "infores:pdsp", "infores:ubergraph" ], "aggregator_knowledge_sources": [ "infores:drugcentral" ], "node_curie_prefixes": { "MONDO": 20128, "UMLS": 15376, "HP": 14054, "NCIT": 10659, "PR": 9139, "UniProtKB": 8048, "CHEBI": 6819, "UNII": 529, "EFO": 223, "PUBCHEM.COMPOUND": 54, "DOID": 20, "NCBITaxon": 17, "OMIM": 17, "UBERON": 14, "CHEMBL.COMPOUND": 12, "DrugCentral": 7, "DRUGBANK": 1, "MESH": 1 }, "node_types": [ { "type": [ "biolink:Disease" ], "count": 34776 }, { "type": [ "biolink:PhenotypicFeature" ], "count": 25689 }, { "type": [ "biolink:Protein" ], "count": 17187 }, { "type": [ "biolink:SmallMolecule" ], "count": 5218 }, { "type": [ "biolink:ChemicalEntity" ], "count": 1980 }, { "type": [ "biolink:MolecularMixture" ], "count": 221 }, { "type": [ "biolink:OrganismTaxon" ], "count": 17 }, { "type": [ "biolink:GrossAnatomicalStructure" ], "count": 12 }, { "type": [ "biolink:AnatomicalEntity" ], "count": 8 }, { "type": [ "biolink:InformationContentEntity" ], "count": 3 }, { "type": [ "biolink:ChemicalMixture" ], "count": 3 }, { "type": [ "biolink:ClinicalAttribute" ], "count": 1 }, { "type": [ "biolink:Device" ], "count": 1 }, { "type": [ "biolink:Behavior" ], "count": 1 }, { "type": [ "biolink:ComplexMolecularMixture" ], "count": 1 } ], "node_properties": [ "alogs", "arom_c", "category", "cd_formula", "cd_molweight", "clogp", "equivalent_identifiers", "fda_labels", "halogen", "hetero_sp2_c", "id", "information_content", "lipinski", "mrdef", "name", "o_n", "oh_nh", "rgb", "rotb", "smiles", "sp2_c", "sp3_c", "sp_c", "status", "tpsa" ], "predicate_totals": { "biolink:subclass_of": 387452, "biolink:has_adverse_event": 205458, "biolink:contraindicated_in": 25689, "biolink:affects": 18993, "biolink:treats": 8961, "biolink:directly_physically_interacts_with": 4143, "biolink:applied_to_treat": 1924, "biolink:related_to": 791, "biolink:preventative_for_condition": 1, "biolink:diagnoses": 1 }, "edges_with_publications": {}, "edge_properties": [ "FAERS_llr", "affinity", "affinity_parameter", "agent_type", "aggregator_knowledge_source", "knowledge_level", "object", "object_aspect_qualifier", "object_direction_qualifier", "original_object", "original_subject", "predicate", "primary_knowledge_source", "qualified_predicate", "subject" ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 97850 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 10739 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 186041 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 77794 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 6824 }, { "subject_type": [ "biolink:Protein" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 30217 }, { "subject_type": [ "biolink:PhenotypicFeature" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 25689 }, { "subject_type": [ "biolink:PhenotypicFeature" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 20877 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 6507 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 1978 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 77188 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 18239 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 968 }, { "subject_type": [ "biolink:Protein" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Protein" ], "count": 25634 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 10473 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 18444 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 752 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 6454 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 759 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 190 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 8169 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 5271 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 1554 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 1456 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 343 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 21 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 5334 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 3740 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 289 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 1157 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 206 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 313 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 207 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 398 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 18 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 383 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 100 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 90 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 72 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 5 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:OrganismTaxon" ], "count": 1 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 96 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 109 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 67 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 83 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ClinicalAttribute" ], "count": 62 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:AnatomicalEntity" ], "count": 21 }, { "subject_type": [ "biolink:OrganismTaxon" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:OrganismTaxon" ], "count": 16 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 10 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:SmallMolecule" ], "count": 2 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 2 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 11 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 37 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:AnatomicalEntity" ], "count": 11 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:AnatomicalEntity" ], "count": 48 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 22 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ClinicalAttribute" ], "count": 5 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 16 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:GrossAnatomicalStructure" ], "count": 13 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 14 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Behavior" ], "count": 3 }, { "subject_type": [ "biolink:OrganismTaxon" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:AnatomicalEntity" ], "count": 2 }, { "subject_type": [ "biolink:GrossAnatomicalStructure" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 3 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:SmallMolecule" ], "count": 1 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 2 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:preventative_for_condition", "object_type": [ "biolink:PhenotypicFeature" ], "count": 1 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 5 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ComplexMolecularMixture" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:diagnoses", "object_type": [ "biolink:Disease" ], "count": 1 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Protein" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ChemicalEntity" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Device" ], "count": 1 } ], "source_breakdown": [ { "aggregator": [ "infores:drugcentral" ], "breakdown": { "infores:faers": { "node_count": 7224, "edge_count": 205458, "subject_prefixes": { "CHEBI": 178907, "UNII": 22787, "PUBCHEM.COMPOUND": 2957, "CHEMBL.COMPOUND": 795, "DrugCentral": 12 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 175038 }, { "type": [ "biolink:ChemicalEntity" ], "count": 18642 }, { "type": [ "biolink:MolecularMixture" ], "count": 11778 } ], "predicates": { "biolink:has_adverse_event": 205458 }, "object_prefixes": { "MONDO": 75792, "UMLS": 64121, "HP": 52022, "NCIT": 8797, "EFO": 4543, "DOID": 183 }, "object_types": [ { "type": [ "biolink:Disease" ], "count": 114830 }, { "type": [ "biolink:PhenotypicFeature" ], "count": 90628 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 97850 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 6507 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 77188 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:Disease" ], "count": 10473 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 8169 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:has_adverse_event", "object_type": [ "biolink:PhenotypicFeature" ], "count": 5271 } ] }, "infores:chembl": { "node_count": 4617, "edge_count": 15079, "subject_prefixes": { "CHEBI": 14300, "UNII": 684, "PUBCHEM.COMPOUND": 70, "CHEMBL.COMPOUND": 21, "DrugCentral": 4 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 14565 }, { "type": [ "biolink:ChemicalEntity" ], "count": 390 }, { "type": [ "biolink:MolecularMixture" ], "count": 124 } ], "predicates": { "biolink:affects": 11230, "biolink:directly_physically_interacts_with": 3846, "biolink:related_to": 3 }, "object_prefixes": { "UniProtKB": 15079 }, "object_types": [ { "type": [ "biolink:Protein" ], "count": 15079 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 10933 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 175 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 3629 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 215 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 2 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 122 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 3 } ] }, "infores:gtopdb": { "node_count": 1133, "edge_count": 1341, "subject_prefixes": { "CHEBI": 1211, "UNII": 101, "PUBCHEM.COMPOUND": 29 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 1263 }, { "type": [ "biolink:ChemicalEntity" ], "count": 61 }, { "type": [ "biolink:MolecularMixture" ], "count": 17 } ], "predicates": { "biolink:affects": 1299, "biolink:directly_physically_interacts_with": 42 }, "object_prefixes": { "UniProtKB": 1341 }, "object_types": [ { "type": [ "biolink:Protein" ], "count": 1341 } ], "s-p-o_types": [ { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 17 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 1258 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 24 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 37 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 5 } ] }, "infores:pdsp": { "node_count": 251, "edge_count": 734, "subject_prefixes": { "CHEBI": 727, "PUBCHEM.COMPOUND": 7 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 732 }, { "type": [ "biolink:ChemicalEntity" ], "count": 2 } ], "predicates": { "biolink:affects": 734 }, "object_prefixes": { "UniProtKB": 734 }, "object_types": [ { "type": [ "biolink:Protein" ], "count": 734 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 732 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 2 } ] }, "infores:drugbank": { "node_count": 102, "edge_count": 64, "subject_prefixes": { "CHEBI": 59, "UNII": 4, "PUBCHEM.COMPOUND": 1 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 64 } ], "predicates": { "biolink:affects": 62, "biolink:related_to": 2 }, "object_prefixes": { "UniProtKB": 64 }, "object_types": [ { "type": [ "biolink:Protein" ], "count": 64 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 62 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 2 } ] }, "infores:kegg": { "node_count": 36, "edge_count": 25, "subject_prefixes": { "CHEBI": 25 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 25 } ], "predicates": { "biolink:affects": 25 }, "object_prefixes": { "UniProtKB": 25 }, "object_types": [ { "type": [ "biolink:Protein" ], "count": 25 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 25 } ] } } }, { "aggregator": [ null ], "breakdown": { "infores:ubergraph": { "node_count": 80953, "edge_count": 387452, "subject_prefixes": { "MONDO": 118862, "CHEBI": 88210, "UMLS": 75827, "UniProtKB": 48958, "HP": 35140, "NCIT": 12584, "PR": 6893, "EFO": 820, "DOID": 88, "OMIM": 49, "NCBITaxon": 18, "UBERON": 3 }, "subject_types": [ { "type": [ "biolink:Disease" ], "count": 196804 }, { "type": [ "biolink:SmallMolecule" ], "count": 84528 }, { "type": [ "biolink:Protein" ], "count": 55851 }, { "type": [ "biolink:PhenotypicFeature" ], "count": 46566 }, { "type": [ "biolink:MolecularMixture" ], "count": 2099 }, { "type": [ "biolink:ChemicalEntity" ], "count": 1583 }, { "type": [ "biolink:OrganismTaxon" ], "count": 18 }, { "type": [ "biolink:GrossAnatomicalStructure" ], "count": 3 } ], "predicates": { "biolink:subclass_of": 387452 }, "object_prefixes": { "MONDO": 187721, "CHEBI": 118404, "HP": 26016, "UMLS": 14581, "PR": 14036, "UniProtKB": 11599, "EFO": 10618, "NCIT": 4434, "UBERON": 20, "NCBITaxon": 16, "DOID": 7 }, "object_types": [ { "type": [ "biolink:Disease" ], "count": 211733 }, { "type": [ "biolink:ChemicalEntity" ], "count": 111445 }, { "type": [ "biolink:PhenotypicFeature" ], "count": 31638 }, { "type": [ "biolink:Protein" ], "count": 25635 }, { "type": [ "biolink:SmallMolecule" ], "count": 6646 }, { "type": [ "biolink:MolecularMixture" ], "count": 228 }, { "type": [ "biolink:ChemicalMixture" ], "count": 85 }, { "type": [ "biolink:OrganismTaxon" ], "count": 16 }, { "type": [ "biolink:AnatomicalEntity" ], "count": 13 }, { "type": [ "biolink:GrossAnatomicalStructure" ], "count": 13 } ], "s-p-o_types": [ { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 10739 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 186041 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 77794 }, { "subject_type": [ "biolink:Protein" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 30217 }, { "subject_type": [ "biolink:PhenotypicFeature" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 25689 }, { "subject_type": [ "biolink:PhenotypicFeature" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 20877 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 1978 }, { "subject_type": [ "biolink:Protein" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Protein" ], "count": 25634 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 6454 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalEntity" ], "count": 1456 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 207 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 72 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 109 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:SmallMolecule" ], "count": 83 }, { "subject_type": [ "biolink:OrganismTaxon" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:OrganismTaxon" ], "count": 16 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 11 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:AnatomicalEntity" ], "count": 11 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:PhenotypicFeature" ], "count": 22 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 16 }, { "subject_type": [ "biolink:Disease" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:GrossAnatomicalStructure" ], "count": 13 }, { "subject_type": [ "biolink:OrganismTaxon" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:AnatomicalEntity" ], "count": 2 }, { "subject_type": [ "biolink:GrossAnatomicalStructure" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Disease" ], "count": 3 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:ChemicalMixture" ], "count": 2 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:MolecularMixture" ], "count": 5 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:subclass_of", "object_type": [ "biolink:Protein" ], "count": 1 } ] }, "infores:drugcentral": { "node_count": 6316, "edge_count": 43260, "subject_prefixes": { "CHEBI": 40308, "UNII": 2231, "PUBCHEM.COMPOUND": 514, "CHEMBL.COMPOUND": 176, "DrugCentral": 30, "DRUGBANK": 1 }, "subject_types": [ { "type": [ "biolink:SmallMolecule" ], "count": 39546 }, { "type": [ "biolink:MolecularMixture" ], "count": 2070 }, { "type": [ "biolink:ChemicalEntity" ], "count": 1644 } ], "predicates": { "biolink:contraindicated_in": 25689, "biolink:treats": 8961, "biolink:affects": 5643, "biolink:applied_to_treat": 1924, "biolink:related_to": 786, "biolink:directly_physically_interacts_with": 255, "biolink:preventative_for_condition": 1, "biolink:diagnoses": 1 }, "object_prefixes": { "MONDO": 24401, "UniProtKB": 6684, "UMLS": 6310, "HP": 5355, "NCIT": 251, "EFO": 224, "DOID": 29, "CHEBI": 3, "NCBITaxon": 1, "UNII": 1, "MESH": 1 }, "object_types": [ { "type": [ "biolink:Disease" ], "count": 29366 }, { "type": [ "biolink:PhenotypicFeature" ], "count": 7041 }, { "type": [ "biolink:Protein" ], "count": 6684 }, { "type": [ "biolink:AnatomicalEntity" ], "count": 69 }, { "type": [ "biolink:ClinicalAttribute" ], "count": 67 }, { "type": [ "biolink:InformationContentEntity" ], "count": 23 }, { "type": [ "biolink:SmallMolecule" ], "count": 3 }, { "type": [ "biolink:Behavior" ], "count": 3 }, { "type": [ "biolink:OrganismTaxon" ], "count": 1 }, { "type": [ "biolink:ComplexMolecularMixture" ], "count": 1 }, { "type": [ "biolink:ChemicalEntity" ], "count": 1 }, { "type": [ "biolink:Device" ], "count": 1 } ], "s-p-o_types": [ { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 6824 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 18239 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 968 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 1 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 752 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 754 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 190 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 1554 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 5434 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 21 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 5334 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:treats", "object_type": [ "biolink:Disease" ], "count": 289 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 1157 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 313 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 18 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Disease" ], "count": 383 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 100 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 142 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 90 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:OrganismTaxon" ], "count": 1 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:PhenotypicFeature" ], "count": 96 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:Disease" ], "count": 67 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 146 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 106 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ClinicalAttribute" ], "count": 62 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:AnatomicalEntity" ], "count": 21 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 10 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:SmallMolecule" ], "count": 2 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:applied_to_treat", "object_type": [ "biolink:PhenotypicFeature" ], "count": 2 }, { "subject_type": [ "biolink:ChemicalEntity" ], "predicate": "biolink:treats", "object_type": [ "biolink:PhenotypicFeature" ], "count": 37 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:affects", "object_type": [ "biolink:Protein" ], "count": 67 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:AnatomicalEntity" ], "count": 48 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ClinicalAttribute" ], "count": 5 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:related_to", "object_type": [ "biolink:Protein" ], "count": 14 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Behavior" ], "count": 3 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:directly_physically_interacts_with", "object_type": [ "biolink:Protein" ], "count": 3 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:treats", "object_type": [ "biolink:SmallMolecule" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:preventative_for_condition", "object_type": [ "biolink:PhenotypicFeature" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ComplexMolecularMixture" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:diagnoses", "object_type": [ "biolink:Disease" ], "count": 1 }, { "subject_type": [ "biolink:MolecularMixture" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:InformationContentEntity" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:ChemicalEntity" ], "count": 1 }, { "subject_type": [ "biolink:SmallMolecule" ], "predicate": "biolink:contraindicated_in", "object_type": [ "biolink:Device" ], "count": 1 } ] } } } ], "predicates_by_knowledge_source": { "infores:faers": { "biolink:has_adverse_event": 205458 }, "infores:ubergraph": { "biolink:subclass_of": 387452 }, "infores:drugcentral": { "biolink:contraindicated_in": 25689, "biolink:treats": 8961, "biolink:affects": 5643, "biolink:applied_to_treat": 1924, "biolink:related_to": 786, "biolink:directly_physically_interacts_with": 255, "biolink:preventative_for_condition": 1, "biolink:diagnoses": 1 }, "infores:chembl": { "biolink:affects": 11230, "biolink:directly_physically_interacts_with": 3846, "biolink:related_to": 3 }, "infores:pdsp": { "biolink:affects": 734 }, "infores:gtopdb": { "biolink:affects": 1299, "biolink:directly_physically_interacts_with": 42 }, "infores:drugbank": { "biolink:affects": 62, "biolink:related_to": 2 }, "infores:kegg": { "biolink:affects": 25 } } }, "memgraph_dump": "https://stars.renci.org/var/plater/graphs/DrugCentral_Automat/4d492047aa51f86f/memgraph.cypher", "neo4j_dump": "https://stars.renci.org/var/plater/graphs/DrugCentral_Automat/4d492047aa51f86f/neo4j.dump" }