neXtProt/NXQ_00267

Proteins binding estradiol and/or similar molecules (similarity search with SMILES), and their associated GO_MF terms

Use at

• https://sparql.nextprot.org/sparql

PREFIX : <http://nextprot.org/rdf/>
PREFIX cco: <http://rdf.ebi.ac.uk/terms/chembl#>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX sachem: <http://bioinfo.uochb.cas.cz/rdf/v1.0/sachem#>
PREFIX skos: <http://www.w3.org/2004/02/skos/core#>


SELECT distinct ?entry (group_concat(distinct str(?gomflab); SEPARATOR = ",") as ?gomfx) WHERE {
 		SERVICE <https://idsm.elixir-czech.cz/sparql/endpoint/idsm> {
 		SERVICE <https://idsm.elixir-czech.cz/sparql/endpoint/cco> {
 		?compound sachem:similarCompoundSearch [ sachem:query "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ] . # smiles chain for estradiol
		 }
		 		?ACTIVITY rdf:type cco:Activity;
		cco:hasMolecule ?compound;
 cco:hasAssay ?ASSAY.
		 ?ASSAY cco:hasTarget ?TARGET.
		 ?TARGET cco:taxonomy <http://identifiers.org/taxonomy/9606> . # human protein target
		 ?TARGET cco:hasTargetComponent ?COMPONENT.
		 ?COMPONENT cco:targetCmptXref ?UNIPROT.
		 filter(contains(str(?UNIPROT),"uniprot"))
		 }
	?entry skos:exactMatch ?UNIPROT.
	?entry :isoform ?iso.
	?iso :goMolecularFunction / :term ?gomf .
	?gomf rdfs:label ?gomflab .
}
group by ?entry

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v3("?ACTIVITY")
  v4("?ASSAY")
  v6("?COMPONENT")
  v5("?TARGET")
  v1("?UNIPROT")
  v2("?compound")
  v7("?entry"):::projected 
  v9("?gomf")
  v10("?gomflab"):::projected 
  v11("?gomfx")
  v8("?iso")
  a1((" "))
  a2((" "))
  c5(["CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O"]):::literal 
  c13([http://identifiers.org/taxonomy/9606]):::iri 
  c8(["cco:Activity"]):::iri 
  subgraph s1["https://idsm.elixir-czech.cz/sparql/endpoint/idsm"]
    style s1 stroke-width:4px;
    f0[["contains(str(?UNIPROT),'uniprot')"]]
    f0 --> v1
    subgraph s2["https://idsm.elixir-czech.cz/sparql/endpoint/cco"]
      style s2 stroke-width:4px;
      a1 --"sachem:query"-->  c5
      v2 --"sachem:similarCompoundSearch"-->  a1
    end
    v3 --"a"-->  c8
    v3 --"cco:hasMolecule"-->  v2
    v3 --"cco:hasAssay"-->  v4
    v4 --"cco:hasTarget"-->  v5
    v5 --"cco:taxonomy"-->  c13
    v5 --"cco:hasTargetComponent"-->  v6
    v6 --"cco:targetCmptXref"-->  v1
  end
  v7 --"skos:exactMatch"-->  v1
  v7 --":isoform"-->  v8
  v8 --":goMolecularFunction"-->  a2
  a2 --":term"-->  v9
  v9 --"rdfs:label"-->  v10
  bind2[/"str(?gomflab)"/]
  v10 --o bind2
  bind2 --as--o v11