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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28991415 | 0.39 | — | — | |
| Benzene SCHEMBL28737241 | 0.37 | TRIM24 (0.54) | — | |
| SCHEMBL5134172 | 0.36 | — | — | |
| Oxygen SCHEMBL4285246 | 0.27 | — | — | |
| SCHEMBL7539781 | 0.27 | — | — | |
| Hydrochloric Acid SCHEMBL25407104 | 0.24 | — | — | |
| Hydrochloric Acid SCHEMBL125 | 0.24 | — | — | |
| Hydrochloric Acid SCHEMBL630599 | 0.24 | — | — | |
| Hydrochloric Acid SCHEMBL25199350 | 0.24 | — | — | |
| Cyclopentane SCHEMBL21855058 | 0.24 | — | — |
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-105208862-A | Microbicidal composition comprising 2-methyl isothiazolin-3-one and an amineoxide | THOR GMBH | 2015-12-30 | — | — | CN | disclosed |
| CN-105188370-A | Microbicidal composition comprising an isothiazolinone and an amine oxide | THOR SPECIALITIES UK LTD | 2015-12-23 | — | — | CN | disclosed |
| CN-104970043-A | STORAGE-STABLE, SYNERGISTIC MICROBICIDAL CONCENTRATES CONTAINING AN ISOTHIAZOLONE, AN AMINE AND AN OXIDIZING AGENT | AIR LIQUIDE | 2015-10-14 | — | — | CN | disclosed |
| CN-101842499-B | Retanning and fatliquoring agent for leather | CLARIANT INT LTD | 2014-12-03 | — | — | CN | disclosed |
| CN-104082313-A | ANTIMICROBIALLY EFFECTIVE USE SOLUTIONS COMPRISING COMBINATIONS OF ISOTHIAZOLONES AND AMINES | AIR LIQUIDE | 2014-10-08 | — | — | CN | disclosed |
| CN-102510722-B | Antimicrobially effective use solution comprising a combination of an isothiazolinone and an amine | AIR LIQUIDE | 2014-08-06 | — | — | CN | disclosed |
| CN-101842499-A | Retanning and fatliquoring agent for leather | CLARIANT INT LTD | 2010-09-22 | — | — | CN | disclosed |
| EP-0436744-B2 | Stabilized aqueous solutions of 3-Isothiazolinones | THOR CHEMIE GMBH (DE) | 2001-09-26 | — | — | EP | disclosed |
| EP-0512095-B1 | METHYL PYRROLIDINONE CHITOSAN, PRODUCTION PROCESS AND USES THEREOF | MERCK PATENT GMBH (DE) | 1996-04-10 | — | — | EP | disclosed |
| EP-0436744-B1 | Stabilized aqueous solutions of 3-Isothiazolinones | THOR CHEMIE GMBH (DE) | 1994-01-26 | — | — | EP | disclosed |
| US-5280020-A | Buflomedil hydrochloride | BERTINI CURRI SERGIO (IT) | 1994-01-18 | — | — | US | disclosed |
| EP-0369105-B1 | A drug and method for increasing the microcirculatory flow-rate and volume in the capillaries to the skin | BERTINI CURRI SERGIO (IT) | 1993-10-27 | — | — | EP | disclosed |
| EP-0512095-A1 | METHYL PYRROLIDINONE CHITOSAN, PRODUCTION PROCESS AND USES THEREOF. | MERCK PATENT GMBH (DE) | 1992-11-11 | — | — | EP | disclosed |
| WO-1992009635-A1 | METHYL PYRROLIDINONE CHITOSAN, PRODUCTION PROCESS AND USES THEREOF | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1992-06-11 | — | — | WO | disclosed |
| EP-0436744-A1 | Stabilized aqueous solutions of 3-Isothiazolinones | THOR CHEMIE GMBH (DE) | 1991-07-17 | — | — | EP | disclosed |
| WO-1991007395-A1 | STABILISED AQUEOUS SOLUTIONS OF 3-ISOTHIAZOLINONES | THOR CHEMIE GMBH (DE) | 1991-05-30 | — | — | WO | disclosed |
| EP-0369105-A1 | A drug and method for increasing the microcirculatory flow-rate and volume in the capillaries to the skin | Bertini Curri, Sergio (IT) | 1990-05-23 | — | — | EP | disclosed |