Ok.

Author: jeremyjyang

sql/test.sql

@@ -0,0 +1,79 @@
+-- Example queries as needed by odbc6.py.
+SELECT gene_symbol, pref_name
+FROM c2b2r_chembl_08_target_dictionary
+WHERE UPPER(pref_name) = UPPER('Cellular retinoic acid-binding protein I')
+;
+--
+SELECT "Approved_Symbol", "Approved_Name"
+FROM "c2b2r_HGNC"
+WHERE UPPER("Approved_Name") = UPPER('SFRS protein kinase 3')
+;
+--
+SELECT "c2b2r_GENE2UNIPROT"."geneSymbol", "c2b2r_Gi2UNIPROT_new".gi
+FROM "c2b2r_Gi2UNIPROT_new","c2b2r_GENE2UNIPROT"
+WHERE "c2b2r_GENE2UNIPROT".uniprot="c2b2r_Gi2UNIPROT_new".uniprot
+AND "c2b2r_Gi2UNIPROT_new".gi = '50949918'
+;
+--
+SELECT "geneSymbol", uniprot
+FROM "c2b2r_GENE2UNIPROT"
+WHERE UPPER(uniprot) = UPPER('P26439')
+;
+--
+SELECT cid, std_inchi, openeye_can_smiles, "pubchem_URL"
+FROM c2b2r_compound_new
+WHERE md5(std_inchi) = md5('InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3')
+;
+--
+SELECT *
+FROM  c2b2r_compound_new
+WHERE cid='5591'
+;
+--
+SELECT openeye_can_smiles, iupac_name, iupac_traditional_name, inchikey, std_inchi
+FROM pubchem_compound
+WHERE cid = '8102'
+;
+--
+SELECT "Disease_ID","Name","Disorder_class"
+FROM c2b2r_omim_disease
+WHERE "Name" = 'Histidinemia'
+;
+--
+SELECT "CID"
+FROM c2b2r_chemogenomics
+WHERE TRIM(primary_source) != 'CTD'
+AND med_interested=1
+AND "GENE" = 'TUBA1A' limit 10
+;
+--
+SELECT "GENE"
+FROM c2b2r_chemogenomics
+WHERE TRIM(primary_source) != 'CTD'
+AND med_interested=1
+AND "CID" = '443495'
+;
+--
+SELECT "CID", "GENE", primary_source
+FROM c2b2r_chemogenomics
+WHERE TRIM(primary_source) != 'CTD'
+AND med_interested = 1
+AND "GENE" IN ('BCL2L12', 'CHKA', 'PON1', 'CD52', 'MAPK1', 'TMTC4') LIMIT 50
+;
+--
+SELECT "CID", openeye_can_smiles, primary_source
+FROM c2b2r_chemogenomics, c2b2r_compound_new
+WHERE c2b2r_chemogenomics."CID" = c2b2r_compound_new.cid
+AND TRIM(c2b2r_chemogenomics.primary_source) != 'CTD'
+AND c2b2r_chemogenomics.med_interested=1
+AND c2b2r_chemogenomics."GENE" = 'TUBA1A'
+;
+--
+-- Requires gNova-Chord and OpenEye license.
+-- Replace with RDKit!
+-- SELECT cid, tanimoto(gfp, public166keys(keksmiles('" + SMILES + "')))
+-- FROM c2b2r_compound_new
+-- WHERE gfpbcnt" + " BETWEEN (nbits_set(public166keys(keksmiles('" + SMILES + "'))) * 0.85)::integer" +	"
+-- AND (nbits_set(public166keys(keksmiles('" + SMILES + "'))) / 0.85)::integer" +	"
+-- AND tanimoto(gfp, public166keys(keksmiles('" + SMILES + "'))) > 0.85 ORDER BY tanimoto DESC, cid"
+-- ;