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 | |
|---|---|---|---|---|
| SCHEMBL821676 | 0.97 | — | — | |
| SCHEMBL24368163 | 0.93 | MAOA (0.48) | — | |
| Dimethylamine SCHEMBL6859038 | 0.93 | MAOA (0.48) | — | |
| Milacemide SCHEMBL119651 | 0.84 | MAOA (0.61) | — | |
| SCHEMBL2423250 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1027757 | 0.83 | MAOA (0.48) | — | |
| SCHEMBL25920484 | 0.82 | MAOA (0.39) | — | |
| Milacemide SCHEMBL194513 | 0.81 | MAOA (0.63) | — | |
| SCHEMBL5233047 | 0.81 | MAOA (0.61) | — | |
| SCHEMBL21454436 | 0.80 | MAOA (0.50) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3208263-A1 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VentiRx Pharmaceuticals, Inc. (US) | 2017-08-23 | — | — | EP | disclosed |
| US-9718796-B2 | Substituted benzoazepines as toll-like receptor modulators | VENTIRX PHARMACEUTICALS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| EP-3159337-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Ventirx Pharmaceuticals, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| EP-2663550-B1 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS INC (US) | 2016-12-14 | — | — | EP | disclosed |
| EP-2467380-B1 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS INC (US) | 2016-11-30 | — | — | EP | disclosed |
| US-20160137608-A1 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS, INC. (US) | 2016-05-19 | — | — | US | disclosed |
| US-9242964-B2 | Substituted benzoazepines as toll-like receptor modulators | VENTIRX PHARMACEUTICALS, INC. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20140142086-A1 | Substituted Benzoazepines as Toll-Like Receptor Modulators | ARRAY BIOPHARMA, INC. (US) | 2014-05-22 | — | — | US | disclosed |
| US-20140066432-A1 | Substituted Benzoazepines As Toll-Like Receptor Modulators | VENTIRX PHARMACEUTICALS, INC. | 2014-03-06 | — | — | US | disclosed |
| EP-2663550-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VentiRx Pharmaceuticals, Inc. (US) | 2013-11-20 | — | — | EP | disclosed |
| US-8524702-B2 | Substituted benzoazepines as toll-like receptor modulators | VENTIRX PHARMACEUTICALS, INC. (US) | 2013-09-03 | — | — | US | disclosed |
| WO-2012097173-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS, INC. (US) | 2012-07-19 | — | — | WO | disclosed |
| EP-2467380-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Ventirx Pharmaceuticals, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20110118235-A1 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| WO-2011022509-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | VENTIRX PHARMACEUTICALS, INC. (US) | 2011-02-24 | — | — | WO | disclosed |
| US-5244894-A | Treating disorders involving hyperactivity of the alpha 1-adrenergic system in lower urinary tract | SYNTHELABO | 1993-09-14 | — | — | US | disclosed |