wd_nps_similarity

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

rq turtle/ttl

• natural products

Compounds structurally similar to eugenol and eugenyl acetate, grouped 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 sachem: <http://bioinfo.uochb.cas.cz/rdf/v1.0/sachem#>
PREFIX wd: <http://www.wikidata.org/entity/>
PREFIX wdt: <http://www.wikidata.org/prop/direct/>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>
#title: Compounds structurally similar to eugenol and eugenyl acetate, grouped by parent taxon.
SELECT ?parent_taxon ?parent_taxon_name (COUNT(DISTINCT ?compound) AS ?count) WHERE {
    SERVICE idsm:wikidata {
        VALUES ?CUTOFF {
            "0.85"^^xsd:double
        }
        SERVICE <https://query.wikidata.org/bigdata/namespace/wdq/sparql> {
            VALUES ?derivatives {
                wd:Q423357
                wd:Q27116129
            }
            ?derivatives wdt:P233 ?smiles.
        }
        ?compound sachem:similarCompoundSearch [
        sachem:query ?smiles;
        sachem:cutoff ?CUTOFF
        ].
    } hint:Prior hint:runFirst true.
    ?compound wdt:P703/wdt:P171 ?parent_taxon.
    ?parent_taxon wdt:P225 ?parent_taxon_name.
}
GROUP BY ?parent_taxon ?parent_taxon_name
ORDER BY DESC (?count)

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v2("?CUTOFF")
  v5("?compound"):::projected 
  v8("?count")
  v3("?derivatives")
  v6("?parent_taxon"):::projected 
  v7("?parent_taxon_name"):::projected 
  v4("?smiles")
  a1((" "))
  a2((" "))
  c7([http://www.bigdata.com/queryHints#Prior]):::iri 
  c9(["true^^xsd:boolean"]):::literal 
  subgraph s1["https://idsm.elixir-czech.cz/sparql/endpoint/wikidata"]
    style s1 stroke-width:4px;
    bind0[/VALUES ?CUTOFF/]
    bind0-->v2
    bind00(["0.85^^xsd:double"])
    bind00 --> bind0
    subgraph s2["https://query.wikidata.org/bigdata/namespace/wdq/sparql"]
      style s2 stroke-width:4px;
      bind1[/VALUES ?derivatives/]
      bind1-->v3
      bind10(["wd:Q423357"])
      bind10 --> bind1
      bind11(["wd:Q27116129"])
      bind11 --> bind1
      v3 --"wdt:P233"-->  v4
    end
    a1 --"sachem:query"-->  v4
    a1 --"sachem:cutoff"-->  v2
    v5 --"sachem:similarCompoundSearch"-->  a1
  end
  c7 --http://www.bigdata.com/queryHints#runFirst-->  c9
  v5 --"wdt:P703"-->  a2
  a2 --"wdt:P171"-->  v6
  v6 --"wdt:P225"-->  v7
  bind3[/"count(?compound)"/]
  v5 --o bind3
  bind3 --as--o v8