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 | |
|---|---|---|---|---|
| SCHEMBL6538115 | 0.98 | — | — | |
| SCHEMBL4387363 | 0.83 | — | — | |
| SCHEMBL21060549 | 0.82 | — | — | |
| SCHEMBL21060563 | 0.81 | — | — | |
| SCHEMBL21060567 | 0.79 | — | — | |
| SCHEMBL21060580 | 0.79 | — | — | |
| SCHEMBL28518331 | 0.73 | HSD11B1 (0.39) | — | |
| SCHEMBL332012 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL30264142 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL37758 | 0.70 | TAAR1 (0.34) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6323260-B1 | AMINOHYDROCARBONSILOXANE MOIETY COMPRISING BOTH SILICON AND NITROGEN. | BAYER INC. (CA) | 2001-11-27 | — | — | US | claimed |
| EP-1131379-A1 | PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE IN DISPERSIONS | Bayer Inc. (CA) | 2001-09-12 | — | — | EP | claimed |
| WO-2000031178-A1 | PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE IN DISPERSIONS | BAYER INC. (CA) | 2000-06-02 | — | — | WO | claimed |
| US-20160222201-A1 | BUTYL RUBBER COMPOUNDS COMPRISING A MIXED MODIFIER SYSTEM | ARLANXEO CANADA INC (CA) | 2016-08-04 | — | — | US | disclosed |
| EP-2203514-B1 | BUTYL RUBBER COMPOUNDS COMPRISING A THREE COMPONENT MIXED MODIFIER SYSTEM | LANXESS INC (CA) | 2012-09-05 | — | — | EP | disclosed |
| EP-2455422-A1 | Butyl rubber compounds comprising a mixed modifier system | Lanxess Inc. (CA) | 2012-05-23 | — | — | EP | disclosed |
| US-8071668-B2 | Butyl rubber compounds comprising a three component mixed modifier system | LANXESS INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-20110184087-A1 | BUTYL RUBBER COMPOUNDS COMPRISING A MIXED MODIFIER SYSTEM | LANXESS INC. (CA) | 2011-07-28 | — | — | US | disclosed |
| US-20100298476-A1 | BUTYL RUBBER COMPOUNDS COMPRISING A THREE COMPONENT MIXED MODIFIER SYSTEM | LANXESS INC. (CA) | 2010-11-25 | — | — | US | disclosed |
| EP-2203514-A1 | BUTYL RUBBER COMPOUNDS COMPRISING A THREE COMPONENT MIXED MODIFIER SYSTEM | LANXESS Inc. (CA) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009049413-A1 | BUTYL RUBBER COMPOUNDS COMPRISING A THREE COMPONENT MIXED MODIFIER SYSTEM | LANXESS INC. (CA) | 2009-04-23 | — | — | WO | disclosed |
| US-6420456-B1 | ACID SALTS OF AMINES AND SILANES WITH HYDROLYSIS | BAYER INC. (CA) | 2002-07-16 | — | — | US | disclosed |
| US-6407153-B1 | Silica-containing rubber compositions | BAYER INC. (CA) | 2002-06-18 | — | — | US | disclosed |
| US-6323260-B1 | AMINOHYDROCARBONSILOXANE MOIETY COMPRISING BOTH SILICON AND NITROGEN. | BAYER INC. (CA) | 2001-11-27 | — | — | US | disclosed |
| US-20010009948-A1 | Elastomeric butyl compounds with improved chemical bonding between the butyl elastomer and the filler | BAYER INC. (CA) | 2001-07-26 | — | — | US | disclosed |
| EP-1111004-A1 | Elastomeric butyl compounds with improved chemical bonding between the butyl elastomer and the filler | Bayer Inc. (CA) | 2001-06-27 | — | — | EP | disclosed |
| EP-1021484-A1 | ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF | Bayer Inc. (CA) | 2000-07-26 | — | — | EP | disclosed |
| EP-0983317-A1 | PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE AS FILLERS IN POLYMER MASTERBATCHES | Bayer Inc. (CA) | 2000-03-08 | — | — | EP | disclosed |
| WO-1999015583-A1 | ELASTOMERIC COMPOSITIONS AND PROCESS FOR PRODUCTION THEREOF | BAYER INC. (CA) | 1999-04-01 | — | — | WO | disclosed |
| WO-1998053004-A1 | PROCESS FOR HYDROPHOBICIZING PARTICLES, AND THEIR USE AS FILLERS IN POLYMER MASTERBATCHES | BAYER INC. (CA) | 1998-11-26 | — | — | WO | disclosed |