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 | |
|---|---|---|---|---|
| SCHEMBL2330633 | 0.97 | — | — | |
| Phosphine SCHEMBL27852639 | 0.94 | — | — | |
| Heptane SCHEMBL27914439 | 0.83 | L3MBTL1 (0.46) | — | |
| Pyridine SCHEMBL10972834 | 0.73 | NAPRT (0.60) | — | |
| Hydrochloric Acid SCHEMBL6810493 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6392644 | 0.70 | CYP2A6 (0.45) | — | |
| SCHEMBL875880 | 0.67 | — | — | |
| Water SCHEMBL5213715 | 0.65 | CYP2A6 (0.45) | — | |
| Hydrochloric Acid SCHEMBL6392648 | 0.65 | — | — | |
| SCHEMBL316824 | 0.64 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514884-A | Whitening composition, whitening and beautifying cream and preparation method thereof | 汕头市汤姆猫科技有限公司 | 2023-08-01 | — | — | CN | claimed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | claimed |
| CN-116514884-A | Whitening composition, whitening and beautifying cream and preparation method thereof | 汕头市汤姆猫科技有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-116490498-A | Pyrimido cyclic compounds and application thereof in preparation of medicines for treating pains and spinal cord injuries | 南京药石科技股份有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-111592534-B | New compounds | 特殊治疗有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112920120-B | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-112920120-A | Method for preparing N-methyl azepin-4-one hydrochloride | 江苏凌云药业股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| EP-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |
| EP-2788086-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | Boehringer Ingelheim International GmbH (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-8741892-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-03 | — | — | US | disclosed |
| WO-2013083591-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| US-20130143870-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-06 | — | — | US | disclosed |
| EP-1558577-B1 | SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS | GLAXO GROUP LTD (GB) | 2009-12-30 | — | — | EP | disclosed |
| US-20060128752-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2006-06-15 | — | — | US | disclosed |
| EP-1558577-A2 | SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004005256-A2 | SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-01-15 | — | — | WO | disclosed |