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 SCHEMBL2305722 | 1.00 | — | — | |
| SCHEMBL690044 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11403921 | 0.84 | MEN1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL11402347 | 0.83 | CYP1A2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL11406144 | 0.83 | — | — | |
| Agmatine SCHEMBL11267549 | 0.81 | SMN1; SMN2 (0.52) | — | |
| Agmatine SCHEMBL20636599 | 0.81 | SMN1; SMN2 (0.52) | — | |
| Agmatine SCHEMBL7391507 | 0.81 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL3079040 | 0.81 | CYP1A2 (0.48) | — | |
| SCHEMBL11522 | 0.80 | — | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170020840-A1 | SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LTD (AU) | 2017-01-26 | — | — | US | disclosed |
| US-9346842-B2 | Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors | BIONOMICS LIMITED (AU) | 2016-05-24 | — | — | US | disclosed |
| US-20140171642-A1 | SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LIMITED (AU) | 2014-06-19 | — | — | US | disclosed |
| US-8716335-B2 | Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors | BIONOMICS LIMITED (AU) | 2014-05-06 | — | — | US | disclosed |
| US-8680135-B2 | Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors | BIONOMICS LIMITED (AU) | 2014-03-25 | — | — | US | disclosed |
| US-20130053351-A1 | SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LIMITED (AU) | 2013-02-28 | — | — | US | disclosed |
| US-20120214770-A1 | SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LIMITED (AU) | 2012-08-23 | — | — | US | disclosed |
| US-8198466-B2 | Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors | BIONOMICS LIMITED (AU) | 2012-06-12 | — | — | US | disclosed |
| EP-2460793-A1 | Substituted Benzofurans, Benzothiophenes, Benzoselenophenes and Indoles And Their Use as Tubulin Polymerisation Inhibitors | Bionomics Limited (AU) | 2012-06-06 | — | — | EP | disclosed |
| EP-1984333-B1 | SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS | BIONOMICS LTD (AU) | 2012-04-25 | — | — | EP | disclosed |
| WO-1999050265-A1 | ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-07 | — | — | WO | disclosed |
| WO-1999050266-A1 | BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-07 | — | — | WO | disclosed |
| CN-1226232-A | Acryloyl substituted distamycin derivatives, process for their preparation, and their use as antitumor and antiviral agents | PHARMACIA & UPJOHN SPA (IT) | 1999-08-18 | — | — | CN | disclosed |
| CN-1222144-A | Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents | PHARMACIA & UPJOHN SPA (IT) | 1999-07-07 | — | — | CN | disclosed |
| EP-0915845-A1 | ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1999-05-19 | — | — | EP | disclosed |
| EP-0912509-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1999-05-06 | — | — | EP | disclosed |
| EP-0880499-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998004524-A1 | ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-02-05 | — | — | WO | disclosed |
| WO-1997043258-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-11-20 | — | — | WO | disclosed |
| WO-1997028123-A1 | DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-08-07 | — | — | WO | disclosed |