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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.58 |
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.58 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.58 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.58 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.58 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.58 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.58 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.58 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.58 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.58 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.58 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.58 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.58 |
| ▸ | KCNQ1 known ✓ | P51787 | 1/20 | 0.58 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.58 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.58 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.58 |
| ▸ | KCND3 known ✓ | Q9UK17 | 1/20 | 0.58 |
| ▸ | ADRB2 known ✓ | P07550 | 3/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8858842 | 0.98 | CHRM3 (0.60) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL4662582 | 0.90 | CHRM3 (0.72) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL6939192 | 0.90 | CHRM3 (0.72) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL4664069 | 0.90 | CHRM3 (0.72) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL7248305 | 0.89 | CHRM3 (0.52) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL9229989 | 0.89 | CHRM3 (0.70) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL9223163 | 0.87 | CHRM3 (0.80) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL3922468 | 0.85 | CHRM3 (0.59) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL9225711 | 0.84 | CHRM3 (0.60) | CHRM3CHRM2CHRM1HRH1CHRM5 | |
| SCHEMBL6937275 | 0.82 | CHRM2 (0.49) | CHRM3CHRM2CHRM1HRH1CHRM5 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE40851-E1 | 3,3-diphenylpropylamines, their use and preparation | PFIZER HEALTH AB (SE) | 2009-07-14 | — | — | US | disclosed |
| US-RE39667-E1 | 3,3-Diphenylpropylamines, their use and preparation | PFIZER HEALTH AB (SE) | 2007-05-29 | — | — | US | disclosed |
| EP-0667852-B1 | NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-04-08 | — | — | EP | disclosed |
| US-5686464-A | ANTICHOLINERGIC AGENTS; URINARY INCONTINENCE TREATMENT | PHARMACIA AB (SE) | 1997-11-11 | — | — | US | disclosed |
| US-5559269-A | ANTICHOLINERGIC AGENTS | PHARMACIA AB (SE) | 1996-09-24 | — | — | US | disclosed |
| EP-0667852-A1 | NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION | Pharmacia & Upjohn Aktiebolag (SE) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011337-A9 | NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION | — | 1995-07-06 | — | — | WO | disclosed |
| WO-1994011337-A1 | NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION | PHARMACIA AB (SE) | 1994-05-26 | — | — | WO | disclosed |