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 | |
|---|---|---|---|---|
| SCHEMBL214047 | 0.98 | — | — | |
| SCHEMBL19032768 | 0.95 | — | — | |
| Methylene Chloride SCHEMBL11133207 | 0.91 | TSHR (0.44) | — | |
| Dimethylamine SCHEMBL4559644 | 0.89 | TSHR (0.47) | — | |
| SCHEMBL10458336 | 0.87 | TSHR (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL27751013 | 0.84 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL30310990 | 0.82 | TSHR (0.53) | — | |
| Hydrochloric Acid SCHEMBL4148163 | 0.81 | KDM4E (0.52) | — | |
| Butyl Alcohol SCHEMBL21381547 | 0.81 | TSHR (0.57) | — | |
| Cyclohexanone SCHEMBL28294878 | 0.80 | ALDH1A1 (0.38) | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121341-A | Method for synthesizing 2, 6-diethyl-4-methyl phenylacetate | 江苏中旗科技股份有限公司 | 2021-07-16 | — | — | CN | claimed |
| CN-103237785-A | Enhanced transbuccal drug delivery system and compositions | NEXMED HOLDINGS INC | 2013-08-07 | — | — | CN | claimed |
| EP-1565441-B1 | Process for the preparation of 2-aminomethylpyridine derivatives | BAYER CROPSCIENCE SA (FR) | 2012-02-22 | — | — | EP | claimed |
| CN-100339367-C | Process for the preparation of 2-aminomethylpyridine derivative | BAYER CROPSCIENCE SA (FR) | 2007-09-26 | — | — | CN | claimed |
| US-7232911-B2 | Process for the preparation of 2-aminomethylpyridine derivative | BAYER CROPSCIENCE S.A. (FR) | 2007-06-19 | — | — | US | claimed |
| US-20060100441-A1 | Process for the preparation of 2-aminomethylpyridine derivative | BAYER CROPSCIENCE LIMITED (GB) | 2006-05-11 | — | — | US | claimed |
| CN-1243738-C | Method for preparing 1-proparagyl hydantoin | KAIDA FINE CHEMICAL INDUSTRY C (CN) | 2006-03-01 | — | — | CN | claimed |
| CN-1711245-A | Process for the preparation of 2-aminomethylpyridine derivative | BAYER CROPSCIENCE SA (FR) | 2005-12-21 | — | — | CN | claimed |
| EP-1565441-A2 | PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINE DERIVATIVE | Bayer CropScience S.A. (FR) | 2005-08-24 | — | — | EP | claimed |
| WO-2004065359-A2 | PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINE DERIVATIVE | BAYER CROPSCIENCE S.A. (FR) | 2004-08-05 | — | — | WO | claimed |
| EP-1422220-A1 | Process for the preparation of 2-aminomethylpyridine derivative | Bayer CropScience SA (FR) | 2004-05-26 | — | — | EP | claimed |
| CN-1446805-A | Method for preparing 1-proparagyl hydantoin | KAIDA FINE CHEMICAL INDUSTRY C (CN) | 2003-10-08 | — | — | CN | claimed |
| US-4389349-A | Process for preparing of N-phosphenomethyl glycine | CHO HUNG H | 1983-06-21 | — | — | US | claimed |
| CN-111646987-B | 5-aminothiazole non-steroidal anti-inflammatory compound and preparation method and application thereof | 湖南师范大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-113121341-A | Method for synthesizing 2, 6-diethyl-4-methyl phenylacetate | 江苏中旗科技股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-113121341-A | Method for synthesizing 2, 6-diethyl-4-methyl phenylacetate | 江苏中旗科技股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| US-4224445-A | ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC | HOFFMANN-LA ROCHE INC. (US) | 1980-09-23 | — | — | US | disclosed |
| US-4177193-A | ALKOXYCARBONYL, ALKYLAMINOSULFONYL-SUBSTITUTED THIOPHENE INTERMEDIATES FOR THE 4-HYDROXY-N-SUBSTITUTED-2H-THIENO(2,3-E)-1,2-THIAZINE-3-CARBOXAMIDE-1,1 -DIOXIDES; ANTIINFLAMMATORY, ANALGESIC | HOFFMAN-LA ROCHE INC. (US) | 1979-12-04 | — | — | US | disclosed |
| US-4134898-A | ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC | HOFFMANN-LA ROCHE INC. (US) | 1979-01-16 | — | — | US | disclosed |
| US-4076709-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-02-28 | — | — | US | disclosed |