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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.47 |
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 SCHEMBL2342230 | 1.00 | ALDH1A1 (0.82) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL8463 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL205679 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL11128312 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL13739106 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL8520135 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL10891000 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Benzene SCHEMBL6754211 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL10906408 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL2468018 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102858776-B | As heteroaryl-cyclohexyl-tetrazine also [e] Azulene of beta-hypophamine V1a receptor antagonist | HOFFMAN-LA ROCHE LTD. (CH) | 2016-01-20 | — | — | CN | claimed |
| CN-102858776-A | Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes as vasopressin V1a receptor antagonists | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | claimed |
| CN-102858776-B | As heteroaryl-cyclohexyl-tetrazine also [e] Azulene of beta-hypophamine V1a receptor antagonist | HOFFMAN-LA ROCHE LTD. (CH) | 2016-01-20 | — | — | CN | disclosed |
| CN-102227428-B | Arylcyclohexylethers of dihydrotetraazabenzoazulenes for use as vasopressin via receptor antagonists | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |
| CN-102858776-A | Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes as vasopressin V1a receptor antagonists | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | disclosed |
| CN-102834396-A | Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo [ e ] azulenes as vasopressin antagonists | HOFFMANN LA ROCHE | 2012-12-19 | — | — | CN | disclosed |
| CN-102227428-A | Arylcyclohexylethers of dihydrotetraazabenzoazulenes for use as vasopressin via receptor antagonists | HOFFMANN LA ROCHE | 2011-10-26 | — | — | CN | disclosed |
| EP-1664063-A1 | SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES | ELI LILLY AND COMPANY (US) | 2006-06-07 | — | — | EP | disclosed |
| CN-1751047-A | Triazole compounds useful in therapy | PFIZER (US) | 2006-03-22 | — | — | CN | disclosed |
| EP-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2005026177-A1 | SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-03-24 | — | — | WO | disclosed |
| EP-1492794-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS | ELI LILLY AND COMPANY (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2003082877-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS | ELI LILLY AND COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |