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.
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 | |
|---|---|---|---|---|
| SCHEMBL519505 | 0.97 | — | — | |
| Bromide SCHEMBL11714940 | 0.94 | — | — | |
| SCHEMBL805274 | 0.80 | — | — | |
| SCHEMBL11912053 | 0.79 | ALDH1A1 (0.53) | — | |
| SCHEMBL2036849 | 0.78 | PAOX (0.67) | — | |
| SCHEMBL12602742 | 0.77 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL7336932 | 0.77 | KDM4A (0.55) | — | |
| Hydrochloric Acid SCHEMBL445971 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29750341 | 0.77 | — | — | |
| SCHEMBL280327 | 0.76 | PAOX (0.70) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102731280-A | Method for preparing 4,4-dialkyl-2-cyclohexene-1-ketone | LIANHUA CHEMISTRY CO LTD DALIAN | 2012-10-17 | — | — | CN | claimed |
| EP-2611802-B1 | BICYCLIC AZA-HETEROCYCLES AND THEIR USE | BAYER IP GMBH (DE) | 2016-02-24 | — | — | EP | disclosed |
| US-9096592-B2 | Bicyclic aza heterocycles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20140148433-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-05-29 | — | — | US | disclosed |
| EP-2611802-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| CN-102731280-A | Method for preparing 4,4-dialkyl-2-cyclohexene-1-ketone | LIANHUA CHEMISTRY CO LTD DALIAN | 2012-10-17 | — | — | CN | disclosed |
| WO-2012028647-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-08 | — | — | WO | disclosed |
| CN-101107247-B | Substituted benzoquinolizines as dpp-iv inhibitors for the treatment of diabetes | HOFFMANN LA ROCHE | 2011-10-19 | — | — | CN | disclosed |
| US-20100222340-A1 | SUBSTITUTED PYRIDO [1,2-a] ISOQUINOLINE DERIVATIVES | BOEHRINGER MARKUS | 2010-09-02 | — | — | US | disclosed |
| CN-101107247-A | Substituted benzoquinolizines as dpp-iv inhibitors for the treatment of diabetes | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | CN | disclosed |
| EP-1851216-A2 | SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006058628-A2 | SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116393-A1 | Substituted pyrido [2,1-a] isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-01 | — | — | US | disclosed |
| US-4066780-A | Pyranoindole derivatives as antiulcer agents | AYERST MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |
| US-4066779-A | ANTIDEPRESSANT, ANTIULCER | AYERST, MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |
| US-4041169-A | TREATING AND PREVENTING ULCERS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-08-09 | — | — | US | disclosed |
| US-4003913-A | ANTIDEPRESSANTS, ANTIULCER AGENTS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-01-18 | — | — | US | disclosed |