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 | |
|---|---|---|---|---|
| ▸ | IMPDH2 known ✓ | P12268 | 1/20 | 0.47 |
| ▸ | IMPDH1 known ✓ | P20839 | 1/20 | 0.47 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.47 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.45 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.49 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29788128 | 0.98 | CYP1A1 (0.50) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL2617558 | 0.98 | CYP1A1 (0.50) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Tannin Pyrogallol SCHEMBL7671492 | 0.93 | CYP3A4 (0.52) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL3791216 | 0.86 | MAPT (0.52) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Hydrochloric Acid SCHEMBL654301 | 0.85 | PTGDR2 (0.55) | GAAMAPTNCOA1NCOA3ALDH1A1 | |
| SCHEMBL3792045 | 0.85 | CYP3A4 (0.58) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL11401640 | 0.85 | NCOA1 (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL311721 | 0.84 | MAPT (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL29764084 | 0.84 | MAPT (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Hydrochloric Acid SCHEMBL10604756 | 0.84 | MAPT (0.57) | CYP3A4IMPDH2IMPDH1GAAMAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2265606-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-10-21 | — | — | EP | disclosed |
| CN-102574800-A | Method for producing 2- [ (3, 5-difluoro-3 '-methoxy-1, 1' -biphenyl-4-yl) amino ] nicotinic acid | ALMIRALL SA | 2012-07-11 | — | — | CN | disclosed |
| US-8163921-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2265606-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| US-20090274652-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |
| WO-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |
| US-20080220536-A1 | Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates | ERIANSON DANIEL A | 2008-09-11 | — | — | US | disclosed |
| US-7214487-B2 | Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates | SUNESIS PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| EP-1497450-A2 | METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE ENZYMATIC ACTIVITY | Sunesis Pharmaceuticals, Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| US-20040005632-A1 | Methods for identifying compounds that modulate enzymatic activity | SUNESIS PHARMACEUTICALS, INC. | 2004-01-08 | — | — | US | disclosed |
| WO-2003087054-A2 | METHODS FOR IDENTIFYING COMPOUNDS THAT MODULATE ENZYMATIC ACTIVITY | SUNESIS PHARMACEUTICALS, INC. (US) | 2003-10-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040005632-A1 | Methods for identifying compounds that modulate enzymatic activity | RNASE1, GBA3, AADAC | IMPDH2 813/4885IMPDH1 781/4885GAA 11/4885 |
| US-20090274652-A1 | Hepatitis C Virus Inhibitors | HAVCR2, HCCS, PYGL | IMPDH2 749/4885IMPDH1 555/4885GAA 175/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.