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01_06_compoundClassificationsForTargets.ttl
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01_06_compoundClassificationsForTargets.ttl
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@base <http://www.openphacts.org/api#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix uniprot: <http://purl.uniprot.org/core/> .
@prefix api: <http://purl.org/linked-data/api/vocab#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix ops: <http://www.openphacts.org/api#> .
@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix chembl: <http://rdf.ebi.ac.uk/terms/chembl#> .
@prefix obo: <http://www.semantic-systems-biology.org/ontology/rdf/OBO#> .
@prefix void: <http://rdfs.org/ns/void#> .
@prefix go: <http://www.geneontology.org/formats/oboInOwl#> .
<#compound> a api:API ;
rdfs:label "Compound"@en ;
api:sparqlEndpoint <http://alpha.openphacts.org:8890/sparql/> ;
api:contentNegotiation api:parameterBased ;
api:variable _:hierarchy ;
api:variable _:targetOrganism ;
api:variable chembl:standardType;
api:variable chembl:standardValue ;
api:variable chembl:hasQUDT ;
api:variable chembl:standardRelation ;
api:variable chembl:organismName ;
api:variable chembl:pChembl ;
api:variable <#input> ;
api:dataset <http://www.ebi.ac.uk/chembl> ;
api:dataset <http://purl.uniprot.org/enzyme/> ;
api:dataset <http://www.geneontology.org> ;
api:vocabulary rdfs: ;
api:vocabulary skos: ;
api:vocabulary uniprot: ;
api:vocabulary dcterms: ;
api:description "An API configuration to return information about compounds." ;
api:endpoint [
a api:ItemEndpoint ;
api:name "Classification of Targets for Compound" ;
api:description "The hierarchy of classes for the different Targets that interact with a given Compound. Currently supported hierarchies are the Enzyme Classification, the ChEMBL Target Tree and the Gene Ontology. " ;
api:itemTemplate "{uri}" ;
api:variable <http://purl.uniprot.org/enzyme> ;
api:variable <http://www.ebi.ac.uk/chembl> ;
api:variable <http://www.geneontology.org> ;
api:variable <http://www.openphacts.org/units/MicrogramPerMilliliter> ;
api:variable <http://www.openphacts.org/units/Millimolar> ;
api:variable <http://www.openphacts.org/units/Nanomolar> ;
api:variable <http://qudt.org/vocab/unit#Percent> ;
api:variable <http://www.openphacts.org/units/MilligramPerMilliliter> ;
api:variable <http://qudt.org/vocab/unit#MinuteTime> ;
api:variable <http://qudt.org/vocab/unit#Gram> ;
api:variable <http://www.openphacts.org/units/NanogramPerMilliliter> ;
api:variable <http://qudt.org/vocab/unit#Hour> ;
api:variable <http://www.openphacts.org/units/PicogramPerMilliliter> ;
api:variable <http://www.openphacts.org/units/Micromolar> ;
api:variable <http://www.openphacts.org/units/Molar> ;
api:variable <http://www.openphacts.org/units/MilligramPerDeciliter> ;
api:variable <http://qudt.org/vocab/unit#Day> ;
api:variable <http://qudt.org/vocab/unit#SecondTime> ;
api:variable <http://www.openphacts.org/units/Picomolar> ;
api:variable <http://qudt.org/vocab/unit#Centimeter> ;
api:variable <http://www.openphacts.org/units/GramPerLiter> ;
api:variable <http://qudt.org/vocab/unit#InternationalUnitPerLiter> ;
api:variable <http://qudt.org/vocab/unit#Kilogram> ;
api:variable <http://qudt.org/vocab/unit#DegreeCelsius> ;
api:variable <http://qudt.org/vocab/unit#MilliSecond> ;
api:variable <http://qudt.org/vocab/unit#Millimeter> ;
api:variable <http://qudt.org/vocab/unit#Micrometer> ;
api:variable <http://qudt.org/vocab/unit#Liter> ;
api:uriTemplate "/compound/classificationsForTargets?uri={uri}" ;
api:exampleRequestPath "/compound/classificationsForTargets?uri=http%3A%2F%2Fops.rsc-us.org%2FOPS6958" ;
api:exampleRequestPath "/compound/classificationsForTargets?uri=http%3A%2F%2Fops.rsc-us.org%2FOPS6958&activity_type=Potency&assay_organism=Homo%20sapiens" ;
api:viewer <#compoundClassificationsForTargetsViewer> ;
api:defaultViewer <#compoundClassificationsForTargetsViewer> ] .
<http://www.ebi.ac.uk/chembl> api:label "ChEMBL - RDF" .
<http://purl.uniprot.org/enzyme> api:label "Enzyme Classification" .
<http://www.geneontology.org> api:label "Gene Ontology" .
<http://www.ebi.ac.uk/chembl> api:name "chembl" .
<http://purl.uniprot.org/enzyme> api:name "enzyme" .
<http://www.geneontology.org> api:name "go" .
_:hierarchy api:name "tree" ;
api:label "tree" ;
api:value "Restrict results by hierarchy. Currently one of 'chembl', 'enzyme', 'go'" ;
api:filterVariable "?g" ;
rdfs:subPropertyOf api:graphFilter ;
a rdf:Property .
<#input> api:name "uri" ;
api:label "uri";
api:value "A compound URI. e.g.: http://chemistry.openphacts.org/OPS6958" ;
rdfs:range rdfs:Resource .
chembl:organismName api:name "assay_organism" ;
api:label "assay_organism" ;
api:value "A literal organism in ChEMBL." ;
api:filterVariable "?assay";
a rdf:Property .
_:targetOrganism api:name "target_organism" ;
api:label "target_organism" ;
api:value "A literal target organism in ChEMBL." ;
api:filterVariable "?chembl_target_uri";
rdfs:subPropertyOf chembl:organismName ;
a rdf:Property .
chembl:standardType api:name "activity_type" ;
api:label "activity_type" ;
api:filterVariable "?activity";
api:value "One of the activity types listed at /pharmacology/filters/activities" ;
a rdf:Property .
chembl:hasQUDT api:name "activity_unit" ;
api:label "activity_unit" ;
api:value "The unit in which {activity_value} is given. See /pharmacology/filters/units/{activity_type} for allowed valued. For e.g. IC50: /pharmacology/filters/units/IC50" ;
api:filterVariable "?activity";
a rdf:Property .
chembl:standardValue api:name "activity_value" ;
api:label "activity_value" ;
api:value "Return activity values equal to this number." ;
api:filterVariable "?activity";
a rdf:Property .
chembl:standardRelation api:name "activity_relation" ;
api:label "activity_relation" ;
api:value ">, >=,= , < , <=" ;
api:filterVariable "?activity";
a rdf:Property .
chembl:pChembl api:name "pChembl" ;
api:label "pChembl" ;
api:filterVariable "?activity";
api:value "Return activities with a pChembl value equal to this number." ;
a rdf:Property .
<http://www.openphacts.org/units/MicrogramPerMilliliter> api:name "microgram_per_milliliter" .
<http://www.openphacts.org/units/Millimolar> api:name "millimolar" .
<http://www.openphacts.org/units/Nanomolar> api:name "nanomolar" .
<http://qudt.org/vocab/unit#Percent> api:name "percent" .
<http://www.openphacts.org/units/MilligramPerMilliliter> api:name "milligram_per_milliliter" .
<http://qudt.org/vocab/unit#MinuteTime> api:name "minute_time" .
<http://qudt.org/vocab/unit#Gram> api:name "gram" .
<http://www.openphacts.org/units/NanogramPerMilliliter> api:name "nanogram_per_milliliter" .
<http://qudt.org/vocab/unit#Hour> api:name "hour" .
<http://www.openphacts.org/units/PicogramPerMilliliter> api:name "picogram_per_milliliter" .
<http://www.openphacts.org/units/Micromolar> api:name "micromolar" .
<http://www.openphacts.org/units/Molar> api:name "molar" .
<http://www.openphacts.org/units/MilligramPerDeciliter> api:name "milligram_per_deciliter" .
<http://qudt.org/vocab/unit#Day> api:name "day" .
<http://qudt.org/vocab/unit#SecondTime> api:name "second_time" .
<http://www.openphacts.org/units/Picomolar> api:name "picomolar" .
<http://qudt.org/vocab/unit#Centimeter> api:name "centimeter" .
<http://www.openphacts.org/units/GramPerLiter> api:name "gram_per_liter" .
<http://qudt.org/vocab/unit#InternationalUnitPerLiter> api:name "international_unit_per_liter" .
<http://qudt.org/vocab/unit#Kilogram> api:name "kilogram" .
<http://qudt.org/vocab/unit#DegreeCelsius> api:name "degree_celsius" .
<http://qudt.org/vocab/unit#MilliSecond> api:name "milli_second" .
<http://qudt.org/vocab/unit#Millimeter> api:name "millimeter" .
<http://qudt.org/vocab/unit#Micrometer> api:name "micrometer" .
<http://qudt.org/vocab/unit#Liter> api:name "liter" .
<#compoundClassificationsForTargetsViewer> a api:Viewer ;
api:name "compoundClassificationsForTargetsViewer";
api:template
"?ops_item skos:exactMatch ?chembl_compound_uri ;
skos:exactMatch ?cw_compound_uri .
?chembl_compound_uri ops:interactsWithTargetOfClass ?class ;
void:inDataset <http://www.ebi.ac.uk/chembl> .
?cw_compound_uri skos:prefLabel ?cw_label ;
void:inDataset <http://www.conceptwiki.org> .
?class skos:prefLabel ?class_label ;
void:inDataset ?g . ";
api:where
"GRAPH <http://www.ebi.ac.uk/chembl> {
?activity chembl:hasMolecule ?chembl_compound_uri ;
chembl:hasAssay ?assay .
?assay chembl:hasTarget ?chembl_target .
?chembl_target chembl:hasTargetComponent ?chembl_tc .
{
?chembl_target chembl:hasProteinClassification ?class .
?class rdfs:label ?class_label
}
UNION {
?chembl_tc chembl:targetCmptXref ?class .
?class a chembl:EnzymeClassRef
GRAPH <http://purl.uniprot.org/enzyme> {
?class skos:prefLabel ?class_label
}
}
UNION {
?chembl_tc skos:exactMatch ?tc_match .
GRAPH <http://www.openphacts.org/goa> {
?tc_match obo:C|obo:F|obo:P ?class
}
GRAPH <http://www.geneontology.org> {
?class rdfs:label ?class_label
}
}
UNION {
GRAPH <http://www.conceptwiki.org> {
?cw_compound_uri skos:prefLabel ?cw_label
}
}
}"