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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 14/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 10/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.41 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7701666 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| SCHEMBL14033267 | 0.90 | CHRM1 (0.39) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| Hydrochloric Acid SCHEMBL9438420 | 0.87 | CHRM2 (0.56) | CHRM1CHRM2CHRM3 | |
| Carbamic Acid SCHEMBL7831823 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| Carbamic Acid SCHEMBL7831819 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| SCHEMBL7811134 | 0.84 | — | — | |
| SCHEMBL7818551 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL10537410 | 0.82 | ALDH1A1 (0.34) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| SCHEMBL1640874 | 0.74 | CHRM1 (0.47) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 | |
| SCHEMBL16684570 | 0.74 | CHRM1 (0.47) | ALDH1A1CHRM1CHRM2CHRM3CHRNB2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542999-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | Pharmacia & Upjohn Company LLC (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1478646-A1 | AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY | PHARMACIA & UPJOHN COMPANY (US) | 2004-11-24 | — | — | EP | disclosed |
| EP-1476448-A2 | AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-1442037-A1 | AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-04 | — | — | EP | disclosed |
| EP-1406901-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1404674-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1389208-A1 | SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR ANTAGONISTS) | PHARMACIA & UPJOHN COMPANY (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2004013137-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-02-12 | — | — | WO | disclosed |
| WO-2003072578-A1 | AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY | PHARMACIA & UPJOHN COMPANY (US) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003070731-A2 | AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2003-08-28 | — | — | WO | disclosed |
| WO-2003042210-A1 | AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-22 | — | — | WO | disclosed |
| WO-2002100857-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002100858-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002085901-A1 | SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-31 | — | — | WO | disclosed |
| EP-1211940-A1 | AZABICYCLO AND AZACYCLO OXIME AND AMINE COMPOUNDS AS PESTICIDES | Aventis CropScience GmbH (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001015532-A1 | AZABICYCLO AND AZACYCLO OXIME AND AMINE COMPOUNDS AS PESTICIDES | AVENTIS CROPSCIENCE GMBH (DE) | 2001-03-08 | — | — | WO | disclosed |