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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 9/20 | 0.40 |
| ▸ | METAP1 | P53582 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.35 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.34 |
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 SCHEMBL4205427 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL3511596 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL329085 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL29618100 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| Hydrochloric Acid SCHEMBL329165 | 1.00 | SMYD3 (0.42) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL3045972 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL329193 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL329101 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL2331995 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM | |
| SCHEMBL13058644 | 0.98 | SMYD3 (0.43) | SMYD3METAP2METAP1LMNABLM |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103288671-B | Synthetic method of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI STEPOVER CHEM. CO., LTD. (CN) | 2014-10-29 | — | — | CN | claimed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | claimed |
| CN-103288671-A | Synthetic method of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI STEPOVER CHEM CO LTD | 2013-09-11 | — | — | CN | claimed |
| EP-2215076-A2 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | Virobay, Inc. (US) | 2010-08-11 | — | — | EP | claimed |
| US-20090270415-A1 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | VIROBAY, INC. (US) | 2009-10-29 | — | — | US | claimed |
| WO-2009055467-A2 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | VIROBAY, INC. (US) | 2009-04-30 | — | — | WO | claimed |
| US-20210338825-A1 | DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-11-04 | — | — | US | disclosed |
| CN-103288671-B | Synthetic method of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI STEPOVER CHEM. CO., LTD. (CN) | 2014-10-29 | — | — | CN | disclosed |
| CN-103288671-B | Synthetic method of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI STEPOVER CHEM. CO., LTD. (CN) | 2014-10-29 | — | — | CN | disclosed |
| CN-103288671-B | Synthetic method of (3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride | SHANGHAI STEPOVER CHEM. CO., LTD. (CN) | 2014-10-29 | — | — | CN | disclosed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |
| WO-2014045263-A2 | PROCESS FOR PREPARATION OF INTERMEDIATES OF TELAPREVIR | DR. REDDY'S LABORATORIES LIMITED (IN) | 2014-03-27 | — | — | WO | disclosed |
| US-8680152-B2 | Cathepsin inhibitors for the treatment of bone cancer and bone cancer pain | VIROBAY, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| WO-2008086053-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2008-07-17 | — | — | WO | disclosed |
| US-20080161254-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2008-07-03 | — | — | US | disclosed |
| EP-1917269-A2 | INHIBITORS OF SERINE PROTEASES | Vertex Pharmaceuticals Incorporated (US) | 2008-05-07 | — | — | EP | disclosed |
| US-20070244334-A1 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-18 | — | — | US | disclosed |
| WO-2007109023-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| WO-2007025307-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-03-01 | — | — | 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 (5 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-20080161254-A1 | HCV INHIBITORS | HAVCR2, ZC3HAV1, EIF2AK2 | SIGMAR1 2117/4885SMYD3 3561/4885METAP2 668/4885 |
| US-20090270415-A1 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | CTSS, CTSV, CTSE | SIGMAR1 4571/4885SMYD3 3932/4885METAP2 125/4885 |
| US-20210338825-A1 | DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN | HAVCR2, CUL4A, PSMC3 | SIGMAR1 2192/4885SMYD3 3728/4885METAP2 622/4885 |
| US-20070179167-A1 | Inhibitors of serine proteases | PRSS1, PRSS3, PRSS2 | SIGMAR1 3320/4885SMYD3 2893/4885METAP2 142/4885 |
| US-20070244334-A1 | Processes and intermediates for preparing steric compounds | REV1, HSD11B1, CYP11B1 | SIGMAR1 465/4885SMYD3 4359/4885METAP2 1514/4885 |
“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.