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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 14/20 | 0.48 |
| ▸ | CHRM4 known ✓ | P08173 | 5/20 | 0.45 |
| ▸ | CHRM5 known ✓ | P08912 | 5/20 | 0.45 |
| ▸ | CHRM1 known ✓ | P11229 | 5/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.45 |
| ▸ | BCHE known ✓ | P06276 | 5/20 | 0.45 |
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.45 |
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 0.43 |
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.43 |
| ▸ | SCN8A known ✓ | Q9UQD0 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL3653473 | 0.98 | CHRM2 (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL5619638 | 0.83 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL4387368 | 0.77 | TAAR1 (0.33) | CHRM2MAPT | |
| SCHEMBL14829368 | 0.76 | TAAR1 (0.53) | — | |
| SCHEMBL28036038 | 0.76 | PNMT (0.45) | MAPTSMN1; SMN2CD274 | |
| SCHEMBL18575559 | 0.75 | CA12 (0.54) | CHRM2GRIN1GRIN2ATSHR | |
| Hydrochloric Acid SCHEMBL2158165 | 0.75 | ALDH1A1 (0.36) | BCHEMEN1POLBMAPTKMT2A | |
| SCHEMBL30239901 | 0.74 | CHRM2 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL1230388 | 0.74 | CHRM2 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL4909317 | 0.73 | CHRM2 (0.79) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 24 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 |
| EP-1208145-A2 | PROCESS FOR PREPARATION OF RUBBER SILICA MASTERBATCHES BASED ON THE USE OF POLYMER LATICES | Bayer Inc. (CA) | 2002-05-29 | — | — | EP | 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 |
| WO-2001010946-A2 | PROCESS FOR PREPARATION OF RUBBER SILICA MASTERBATCHES BASED ON THE USE OF POLYMER LATICES | BAYER INC. (CA) | 2001-02-15 | — | — | WO | 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 |