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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.42 |
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.42 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.47 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 SCHEMBL5742275 | 1.00 | CTSC (0.47) | CTSCANPEPERAP1ERAP2MAOB | |
| Hydrochloric Acid SCHEMBL3870394 | 1.00 | CTSC (0.47) | CTSCANPEPERAP1ERAP2MAOB | |
| SCHEMBL5774965 | 0.98 | CTSC (0.48) | CTSCANPEPERAP1ERAP2MAOB | |
| SCHEMBL5758862 | 0.98 | CTSC (0.48) | CTSCANPEPERAP1ERAP2MAOB | |
| SCHEMBL27703898 | 0.86 | GRIK1 (0.46) | CTSCANPEPERAP1ERAP2MAOB | |
| SCHEMBL23177043 | 0.83 | S1PR2 (0.49) | MAOBMAOA | |
| SCHEMBL24816047 | 0.83 | S1PR2 (0.49) | MAOBMAOA | |
| Hydrochloric Acid SCHEMBL2680168 | 0.79 | EPHX1 (0.54) | CTSCANPEPMAOBMAOACYP2A6 | |
| Hydrochloric Acid SCHEMBL5562831 | 0.79 | EPHX1 (0.54) | CTSCANPEPMAOBMAOACYP2A6 | |
| SCHEMBL3442133 | 0.78 | TAAR1 (0.47) | CTSCMAOBTAAR1IDO1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028942-B1 | DIPEPTIDE NITRILES | NOVARTIS AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| CN-100543017-C | Keto-oxadiazole derivatives as cathepsin inhibitors | AVENTIS PHARMA INC (US) | 2009-09-23 | — | — | CN | disclosed |
| US-7482448-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-20080027060-A1 | DIPEPTIDE NITRILES | ALTMANN EVA | 2008-01-31 | — | — | US | disclosed |
| CN-1898219-A | Novel keto-oxadiazole derivatives as cathepsin inhibitors | AVENTIS PHARMA INC (US) | 2007-01-17 | — | — | CN | disclosed |
| US-20060235220-A1 | Dipeptide nitriles | MISSBACH MARTIN | 2006-10-19 | — | — | US | disclosed |
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| US-20060189657-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-24 | — | — | US | disclosed |
| CN-1240681-C | Nitrile derivatives as cathepsin K inhibitors | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | CN | disclosed |
| US-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2004-07-22 | — | — | US | disclosed |
| CN-1512983-A | Compounds and compositions as cathepsins inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |
| US-20040110806-A1 | Dipeptide derivatives | ALTMANN EVA (CH) | 2004-06-10 | — | — | US | disclosed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| US-20040029814-A1 | Dipeptide nitriles | ALTMANN EVA (CH) | 2004-02-12 | — | — | US | disclosed |
| CN-1413193-A | Nitrile derivatives as cathepsin K inhibitors | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | CN | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |
| US-6353017-B1 | INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS | NOVARTIS AG (CH) | 2002-03-05 | — | — | 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 (6 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-20040110806-A1 | Dipeptide derivatives | CTSL, CTSZ, CTSS | MAOB 2700/4885MAOA 4103/4885HTR2A 4792/4885 |
| US-20040029814-A1 | Dipeptide nitriles | NOS1, CTSL, CTSS | MAOB 1607/4885MAOA 3045/4885HTR2A 4729/4885 |
| US-20060235220-A1 | Dipeptide nitriles | CTSL, CTSS, CTSB | MAOB 2178/4885MAOA 3705/4885HTR2A 4788/4885 |
| US-20080027060-A1 | DIPEPTIDE NITRILES | CTSL, CTSS, CTSB | MAOB 2178/4885MAOA 3705/4885HTR2A 4788/4885 |
| US-20040142999-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSS, CTSB, CTSE | MAOB 335/4885MAOA 490/4885HTR2A 4443/4885 |
| US-20060189657-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSB, CTSS, CTSK | MAOB 80/4885MAOA 427/4885HTR2A 4608/4885 |
“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.