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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.66 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.66 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.66 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.66 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.66 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.66 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.66 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.66 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.66 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.66 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.66 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.66 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.66 |
| ▸ | KCNQ1 known ✓ | P51787 | 1/20 | 0.66 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.66 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.66 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.66 |
| ▸ | KCND3 known ✓ | Q9UK17 | 1/20 | 0.66 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.64 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL574530 | 0.99 | CHRM2 (0.67) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL4879639 | 0.99 | CHRM2 (0.67) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL725535 | 0.91 | CHRM2 (0.77) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL13175653 | 0.91 | CHRM2 (0.77) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL14709412 | 0.91 | CHRM2 (0.77) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| Hydrochloric Acid SCHEMBL4661423 | 0.90 | CHRM2 (0.60) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL2853537 | 0.90 | CHRM2 (0.62) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL222314 | 0.90 | CHRM2 (0.62) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL4859538 | 0.90 | CHRM2 (0.66) | CHRM2CHRM1CHRM5CHRM3HRH1 | |
| SCHEMBL222588 | 0.90 | CHRM2 (0.62) | CHRM2CHRM1CHRM5CHRM3HRH1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461306-B1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN CO LLC (US) | 2008-12-24 | — | — | EP | disclosed |
| US-7439397-B2 | reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis | PFIZER INC (US) | 2008-10-21 | — | — | US | disclosed |
| US-20050148672-A1 | Quaternary ammonium compounds | RICHARDS IVAN (US) | 2005-07-07 | — | — | US | disclosed |
| US-6890920-B2 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY (US) | 2005-05-10 | — | — | US | disclosed |
| US-20030158176-A1 | Quaternary ammonium compounds | PHARMACIA & UPJOHN COMPANY | 2003-08-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030158176-A1 | Quaternary ammonium compounds | CLIC1, CLIC4, CORO1C | CHRM2 157/4885CHRM1 27/4885CHRM5 246/4885 |
| US-20050148672-A1 | Quaternary ammonium compounds | BET1, EP300, BRD4 | CHRM2 2552/4885CHRM1 985/4885CHRM5 1619/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.