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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.33 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL540045 | 0.98 | HTR2A (0.39) | HTR2ACYP2A6CYP1A2CYP2C19ALOX5 | |
| Bromide SCHEMBL17185186 | 0.95 | HTR2A (0.38) | HTR2ACYP2A6CYP1A2CYP2C19ALOX5 | |
| Hydrochloric Acid SCHEMBL13738816 | 0.88 | TYR (0.33) | — | |
| Hydrochloric Acid SCHEMBL2035158 | 0.81 | DRD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3388587 | 0.81 | DRD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3809942 | 0.77 | IDO1 (0.45) | ALDH1A1IDO1 | |
| Hydrochloric Acid SCHEMBL2850886 | 0.77 | ADRB2 (0.48) | CYP2A6CYP1A2CYP2C19MAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL20900097 | 0.76 | DPP4 (0.48) | HTR2AALDH1A1DPP4 | |
| Hydrochloric Acid SCHEMBL28664928 | 0.76 | DPP4 (0.48) | HTR2AALDH1A1DPP4 | |
| Hydrochloric Acid SCHEMBL1808718 | 0.75 | IDO1 (0.47) | ALDH1A1MAPK1MEN1KMT2AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019196-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-05-18 | — | — | EP | disclosed |
| WO-2015005901-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-15 | — | — | WO | disclosed |
| EP-2802326-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-11-19 | — | — | EP | disclosed |
| EP-2766365-A1 | ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-20 | — | — | EP | disclosed |
| WO-2013106520-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-18 | — | — | WO | disclosed |
| EP-2603504-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2013053657-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-18 | — | — | WO | disclosed |
| WO-2012175581-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-27 | — | — | WO | disclosed |
| EP-2519506-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-11-07 | — | — | EP | disclosed |
| EP-2507232-A2 | PROLINE DERIVATIVES | National Health Research Institutes (TW) | 2012-10-10 | — | — | EP | disclosed |
| EP-2417126-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2011146401-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-11-24 | — | — | WO | disclosed |
| WO-2011082077-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-07-07 | — | — | WO | disclosed |
| WO-2011068941-A2 | PROLINE DERIVATIVES | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2011-06-09 | — | — | WO | disclosed |
| WO-2010117977-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010094977-A1 | NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C | ARROW THERAPEUTICS LIMITED (GB) | 2010-08-26 | — | — | WO | disclosed |
| EP-2049522-A2 | HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1994016-A2 | 5-PHENYL-3-BENZYL-OXAZOLIDIN-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | AstraZeneca AB (SE) | 2008-11-26 | — | — | EP | disclosed |
| WO-2008021927-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2007078523-A2 | 5-PHENYL-3-BENZYL-0XAZ0LIDIN-2-0NE DERIVATIVES AND RELATED COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | WO | disclosed |