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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.42 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.42 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.42 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 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 | |
|---|---|---|---|---|
| SCHEMBL933733 | 0.88 | ESR1 (0.57) | ESR1ESR2AOC3KCNA5ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4825334 | 0.86 | AOC3 (0.54) | ESR1AOC3CYP2C19ALDH1A1TSHR | |
| SCHEMBL544819 | 0.83 | AOC3 (0.56) | ESR1AOC3CNR2CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9457770 | 0.81 | BCL2A1 (0.50) | ESR1ESR2AOC3KCNH2CNR1 | |
| SCHEMBL27493772 | 0.80 | ALDH1A1 (0.50) | ESR1AOC3CNR2CYP2C19ALDH1A1 | |
| SCHEMBL934617 | 0.79 | ESR1 (0.49) | ESR1ESR2AOC3 | |
| SCHEMBL934572 | 0.79 | BCL2A1 (0.51) | ESR1ESR2AOC3KCNH2CNR1 | |
| SCHEMBL28980138 | 0.78 | AOC3 (0.47) | AOC3NR3C1CNR1CNR2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9471980 | 0.78 | TAS2R14 (0.44) | ESR1ESR2AOC3CNR1CNR2 | |
| SCHEMBL27845257 | 0.78 | ESR1 (0.37) | ESR1ESR2AOC3KCNH2KCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0239306-B1 | TETRAHYDROCARBAZOLE ESTERS | MERCK FROSST CANADA INC. (CA) | 1993-06-02 | — | — | EP | disclosed |
| US-4940719-A | Tetrahydrocarbazole esters, pharmaceutical compositions and use | MERCK FROSST CANADA, INC. (CA) | 1990-07-10 | — | — | US | disclosed |
| EP-0310179-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1989-04-05 | — | — | EP | disclosed |
| EP-0307077-A1 | Tetrahydrocarbazoles for the improvement of cyclosporin therapy | MERCK FROSST CANADA INC. (CA) | 1989-03-15 | — | — | EP | disclosed |
| US-4808608-A | ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT | MERCK & CO., INC. (US) | 1989-02-28 | — | — | US | disclosed |
| EP-0300676-A2 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1989-01-25 | — | — | EP | disclosed |
| EP-0239306-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1987-09-30 | — | — | EP | disclosed |
| EP-0234708-A1 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1987-09-02 | — | — | EP | disclosed |