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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.37 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.48 |
| ▸ | METAP2 | P50579 | 4/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL742742 | 1.00 | METAP1 (0.48) | METAP1METAP2SIGMAR1SMYD3DPP7 | |
| SCHEMBL6876886 | 0.98 | METAP1 (0.49) | METAP1METAP2SIGMAR1SMYD3DPP7 | |
| SCHEMBL6876305 | 0.98 | METAP1 (0.49) | METAP1METAP2SIGMAR1SMYD3DPP7 | |
| SCHEMBL6875880 | 0.98 | METAP1 (0.49) | METAP1METAP2SIGMAR1SMYD3DPP7 | |
| SCHEMBL3411145 | 0.98 | METAP1 (0.49) | METAP1METAP2SIGMAR1SMYD3DPP7 | |
| SCHEMBL8492486 | 0.92 | SIGMAR1 (0.51) | METAP1METAP2SIGMAR1EPHX1 | |
| SCHEMBL8006760 | 0.92 | SIGMAR1 (0.51) | METAP1METAP2SIGMAR1EPHX1 | |
| SCHEMBL12829172 | 0.91 | SIGMAR1 (0.53) | METAP2SIGMAR1EPHX1 | |
| Hydrochloric Acid SCHEMBL329165 | 0.90 | SMYD3 (0.42) | METAP1METAP2SIGMAR1SMYD3LMNA | |
| Hydrochloric Acid SCHEMBL4205427 | 0.90 | SMYD3 (0.42) | METAP1METAP2SIGMAR1SMYD3LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518874-B2 | HCV inhibitors | VIROBAY, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| EP-2431379-A2 | HCV inhibitors | Virobay, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20100266537-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-7608592-B2 | HCV inhibitors | VIROBAY, INC. (US) | 2009-10-27 | — | — | US | disclosed |
| EP-1906945-A4 | HCV INHIBITORS | VIROBAY INC (US) | 2009-07-15 | — | — | EP | disclosed |
| EP-1906945-A2 | HCV INHIBITORS | Virobay, Inc. (US) | 2008-04-09 | — | — | EP | disclosed |
| US-20070054864-A1 | 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections | QUEST DIAGNOSTICS INVESTMENTS LLC | 2007-03-08 | — | — | US | disclosed |
| WO-2007005838-A2 | HCV INHIBITORS | VIROBAY, INC. (US) | 2007-01-11 | — | — | 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-20100266537-A1 | HCV INHIBITORS | HAVCR2, EIF2AK2, ZC3HAV1 | SIGMAR1 2090/4885CA2 4612/4885DPP4 161/4885 |
| US-20070054864-A1 | 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections | HAVCR2, EIF2AK2, GTF3C1 | SIGMAR1 1670/4885CA2 4790/4885DPP4 144/4885 |
“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.