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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.52 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.49 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 known ✓ | P08238 | 1/20 | 0.49 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | PLK1 | P53350 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30944896 | 0.98 | DOT1L (0.65) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL998802 | 0.98 | DOT1L (0.65) | DOT1LHTTALOX15PLK1NPC1 | |
| Hydrochloric Acid SCHEMBL998803 | 0.84 | HTT (0.64) | DOT1LHTTALOX15PLK1NPC1 | |
| Hydrochloric Acid SCHEMBL7309164 | 0.84 | HTT (0.64) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL2524478 | 0.84 | ALDH1A1 (0.55) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL27856105 | 0.84 | DOT1L (0.73) | DOT1LHTTALOX15PLK1NPC1 | |
| Hydrochloric Acid SCHEMBL3701824 | 0.83 | HTT (0.62) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL323178 | 0.82 | HTT (0.66) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL29489054 | 0.82 | HTT (0.66) | DOT1LHTTALOX15PLK1NPC1 | |
| SCHEMBL2976951 | 0.81 | HDAC1 (0.61) | DOT1LHTTALOX15PLK1NPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935670-B2 | N-(4,6-dimethyl-2-pyridinyl)-L-valyl- N-(1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)carboxy)-L-prolinamide; viricide; synergistic with other active ingredients | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-03 | — | — | US | disclosed |
| EP-2049474-A2 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2009-04-22 | — | — | EP | disclosed |
| US-20080167314-A1 | Condensed Imidazole Compound And Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | US | disclosed |
| WO-2008008776-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-17 | — | — | WO | disclosed |
| US-20080014173-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-17 | — | — | US | disclosed |
| EP-1832588-A1 | CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-09-12 | — | — | EP | disclosed |
| US-7053104-B2 | Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases | NPS PHARMACEUTICALS, INC. (US) | 2006-05-30 | — | — | US | disclosed |
| US-20030013715-A1 | Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases | NPS PHARMACEUTICALS, INC. | 2003-01-16 | — | — | US | disclosed |
| US-6429207-B1 | QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) | NPS PHARMACEUTICALS, INC. | 2002-08-06 | — | — | US | disclosed |
| EP-1037878-A2 | METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES | NPS PHARMACEUTICALS, INC. (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999026927-A2 | METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES | NPS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| US-5541187-A | HYPOTENSIVE AGENTS | STERLING WINTHROP INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5294612-A | Hypotensive agents and cardiovascular disorders | STERLING WINTHROP INC. (US) | 1994-03-15 | — | — | US | 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 (3 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-20080167314-A1 | Condensed Imidazole Compound And Use Thereof | MAPK13, MMP13, MAPK3 | HDAC1 65/4885HDAC2 84/4885GAA 2978/4885 |
| US-20080014173-A1 | Hepatitis C Virus Inhibitors | HAVCR2, HCCS, PYGL | HDAC1 1626/4885HDAC2 2717/4885GAA 175/4885 |
| US-20030013715-A1 | Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases | GRM2, GRM1, GRM3 | HDAC1 1364/4885HDAC2 1398/4885GAA 1029/4885 |
“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.