Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.39 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.38 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8325048 | 0.78 | — | — | |
| SCHEMBL13900957 | 0.77 | CHRM1 (0.47) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL3336874 | 0.77 | — | — | |
| SCHEMBL6635136 | 0.75 | CHRM1 (0.42) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL9130174 | 0.73 | CHRM2 (0.48) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL10740679 | 0.72 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| Hydrochloric Acid SCHEMBL1897877 | 0.71 | — | — | |
| SCHEMBL9499202 | 0.71 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL21461250 | 0.69 | CHRM2 (0.45) | CHRNB2CHRNA4CHRM2CHRM3CHRM1 | |
| SCHEMBL8322149 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2896612-A1 | Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors | Wyeth Holdings LLC (US) | 2015-07-22 | — | — | EP | disclosed |
| EP-2253620-B1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | WYETH HOLDINGS LLC (US) | 2014-03-12 | — | — | EP | disclosed |
| US-RE42376-E1 | Substituted 3-cyanoquinolines | WYETH HOLDINGS CORPORATION (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2253620-A1 | Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors | Wyeth Holdings Corporation (US) | 2010-11-24 | — | — | EP | disclosed |
| EP-1950201-A1 | Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors | Wyeth Holdings Corporation (US) | 2008-07-30 | — | — | EP | disclosed |
| EP-1000039-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | WYETH CORP (US) | 2004-06-09 | — | — | EP | disclosed |
| US-6297258-B1 | USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. | AMERICAN CYANAMID COMPANY | 2001-10-02 | — | — | US | disclosed |
| EP-1117649-A1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | American Cyanamid Company (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6251912-B1 | Substituted quinazoline derivatives | AMERICAN CYANAMID COMPANY | 2001-06-26 | — | — | US | disclosed |
| EP-1000039-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | American Cyanamid Company (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-2000018740-A1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |
| WO-1999009016-A1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |