The Open PHACTS Information and Pharmacology API calls can return several data types from various different sources. The table lists the API call, the data returned (Data Types), and the sources of the data (Provenance). While most data returned for a query are optional (can be missing from the output if no data are available), some information (indicated in bold) must be available for any result to be returned from the call.

For Target Information calls, the target must have a UniProt ID to be returned, although targets that are not proteins can be used in Target Pharmacology. 

 

Open PHACTS API call

Data Types

Provenance

Target Information

Target depictions: Amino acid sequence, number of residues, theoretical pI, mass, textual labels

SwissProt, DrugBank

 

Target annotations: Function, interacting proteins, target components, cellular localization, GO terms, UniProt keywords

SwissProt, Chembl, DrugBank

 

Drugs specific for target

DrugBank

 

Links to other datasets: GO annotations, Protein Databank

SwissProt

Compound Information

Compound depictions: SMILES, InChI, InChIKey, molecular formula, textual labels

OPS Chemical Registry

 

Compound properties: Hydrogen bond donors/acceptors, molecular weight, rule of 5 violations, rotatable bonds, logP, polar surface area, melting point

OPS Chemical Registry

 

Compound annotations: Biotransformation, toxicity, protein binding, description, classification as per drug approval process, drug-drug interactions

DrugBank

Tissue Information

Tissue description

neXtProt

 

Links to other datasets (cross-references) : Foundational model of anatomy, Brenda tissue ontology, UBERON, Medical subject headings

neXtProt

Disease Information

Disease depictions: Textual label

DisGeNet

 

Annotations: Disease class

DisGeNet

Pathway Information

Pathway depictions: Textual label, pathway organism, pathway elements

WikiPathways

 

Annotations: Pathway description, Pathway ontology terms

WikiPathways

Target Pharmacology

Pharmacology components: Target, target textual name, compound

ChEMBL

 

Compound-target activity annotations: Published activity type, published activity value, activity units, pChEMBL value, assay, assay comment, assay organism, DOI, target type

ChEMBL

Compound Pharmacology

Pharmacology components: Compound, target

ChEMBL

 

Compound-target activity annotations: Published activity type, published activity value, activity units, pChEMBL value, assay, assay description, assay comment, assay organism, DOI, drug type, drug generic name

ChEMBL, DrugBank