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 SCHEMBL2744203 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1537658 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1536296 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL629085 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL16030190 | 1.00 | — | — | |
| SCHEMBL8002948 | 0.98 | CFD (0.30) | — | |
| SCHEMBL13646921 | 0.98 | CFD (0.30) | — | |
| SCHEMBL1160743 | 0.98 | CFD (0.30) | — | |
| SCHEMBL13576269 | 0.98 | CFD (0.30) | — | |
| SCHEMBL635489 | 0.98 | CFD (0.30) | — |
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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080654-B2 | Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors | Insituto di Ricerche di Biologia Molecolare P. Angeletti SpA (IT) | 2011-12-20 | — | — | US | claimed |
| US-20110224134-A1 | MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-09-15 | — | — | US | claimed |
| EP-3825312-A1 | INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS | Gilead Pharmasset LLC (US) | 2021-05-26 | — | — | EP | disclosed |
| EP-3492464-B1 | INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS | GILEAD PHARMASSET LLC (US) | 2020-08-19 | — | — | EP | disclosed |
| US-10603318-B2 | Inhibitors of hepatitis C virus | GILEAD PHARMASSET LLC (US) | 2020-03-31 | — | — | US | disclosed |
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-10335409-B2 | Inhibitors of hepatitis C virus | GILEAD PHARMASSET LLC (US) | 2019-07-02 | — | — | US | disclosed |
| EP-3492464-A1 | INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS | Gilead Sciences, Inc. (US) | 2019-06-05 | — | — | EP | disclosed |
| EP-2970335-B1 | MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES INC (US) | 2019-05-08 | — | — | EP | disclosed |
| US-20190008858-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD PHARMASSET LLC | 2019-01-10 | — | — | US | disclosed |
| EP-3159345-B1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES INC (US) | 2019-01-09 | — | — | EP | disclosed |
| EP-1910404-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| US-20080014173-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-17 | — | — | US | disclosed |
| WO-2007148135-A1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-12-27 | — | — | WO | disclosed |
| CN-101024671-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-08-29 | — | — | CN | disclosed |
| CN-1974596-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-06-06 | — | — | CN | disclosed |
| CN-1299677-C | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-02-14 | — | — | CN | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| US-20070027071-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2007-02-01 | — | — | US | disclosed |
| CN-1668297-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-09-14 | — | — | CN | disclosed |