wd_chemical_scaffolds_nps

• License: https://creativecommons.org/publicdomain/zero/1.0/

rq turtle/ttl

• chemical scaffolds

Taxa containing indolic scaffolds. Count occurences by parent taxon.

Use at

• https://query.wikidata.org/sparql

PREFIX hint: <http://www.bigdata.com/queryHints#>
PREFIX idsm: <https://idsm.elixir-czech.cz/sparql/endpoint/>
PREFIX p: <http://www.wikidata.org/prop/>
PREFIX ps: <http://www.wikidata.org/prop/statement/>
PREFIX sachem: <http://bioinfo.uochb.cas.cz/rdf/v1.0/sachem#>
PREFIX wdt: <http://www.wikidata.org/prop/direct/>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>
#title: Taxa containing indolic scaffolds. Count occurences by parent taxon.
SELECT ?parent_taxon ?parent_taxon_name (COUNT(DISTINCT ?compound) AS ?count) WHERE {
    SERVICE idsm:wikidata {
        VALUES ?SUBSTRUCTURE {
            "C12=C(C=CC=C2)C=CN1" # indolic scaffold
        }
        ?compound sachem:substructureSearch [
        sachem:query ?SUBSTRUCTURE
        ].
    } hint:Prior hint:runFirst true.
    ?compound p:P703 ?statement.
    ?statement ps:P703/wdt:P171 ?parent_taxon.
    ?parent_taxon wdt:P225 ?parent_taxon_name.
}
GROUP BY ?parent_taxon ?parent_taxon_name
HAVING (?count > 100)
ORDER BY DESC (?count)

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v2("?SUBSTRUCTURE")
  v3("?compound"):::projected 
  v7("?count")
  v5("?parent_taxon"):::projected 
  v6("?parent_taxon_name"):::projected 
  v4("?statement")
  a1((" "))
  a2((" "))
  c5([http://www.bigdata.com/queryHints#Prior]):::iri 
  c7(["true^^xsd:boolean"]):::literal 
  f0[["?count > '100^^xsd:integer'"]]
  f0 --> v7
  subgraph s1["https://idsm.elixir-czech.cz/sparql/endpoint/wikidata"]
    style s1 stroke-width:4px;
    bind1[/VALUES ?SUBSTRUCTURE/]
    bind1-->v2
    bind10(["C12=C(C=CC=C2)C=CN1"])
    bind10 --> bind1
    a1 --"sachem:query"-->  v2
    v3 --"sachem:substructureSearch"-->  a1
  end
  c5 --http://www.bigdata.com/queryHints#runFirst-->  c7
  v3 --"p:P703"-->  v4
  v4 --"p:statement/P703"-->  a2
  a2 --"p:direct/P171"-->  v5
  v5 --"p:direct/P225"-->  v6
  bind3[/"count(?compound)"/]
  v3 --o bind3
  bind3 --as--o v7