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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.34 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.33 |
| ▸ | SCN10A known ✓ | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.33 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 6/20 | 0.35 |
| ▸ | CTSL | P07711 | 5/20 | 0.35 |
| ▸ | CTSF | Q9UBX1 | 5/20 | 0.35 |
| ▸ | CTSV | O60911 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 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 SCHEMBL2928755 | 1.00 | FFAR1 (0.37) | FFAR1FFAR4DPP4CTSBCTSL | |
| SCHEMBL2926703 | 0.98 | FFAR1 (0.38) | FFAR1FFAR4DPP4CTSBCTSL | |
| SCHEMBL3761661 | 0.98 | FFAR1 (0.38) | FFAR1FFAR4DPP4CTSBCTSL | |
| SCHEMBL2920453 | 0.98 | FFAR1 (0.38) | FFAR1FFAR4DPP4CTSBCTSL | |
| SCHEMBL30738909 | 0.86 | KIF11 (0.48) | DPP4CTSBCTSLCTSFCTSV | |
| SCHEMBL2928553 | 0.81 | IDO1 (0.46) | DPP4MPODPP9DPP7CYP19A1 | |
| Hydrochloric Acid SCHEMBL31325365 | 0.81 | PYCR1 (0.40) | DPP4DPP9DPP7 | |
| Hydrochloric Acid SCHEMBL25217023 | 0.79 | USP2 (0.46) | FFAR1FFAR4DPP4PSEN1PSEN2 | |
| SCHEMBL16064312 | 0.79 | PYCR1 (0.41) | DPP4DPP9DPP7 | |
| SCHEMBL17483507 | 0.79 | DPP4 (0.35) | FFAR1FFAR4DPP4DPP9DPP7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225196-B1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK CANADA INC (CA) | 2015-01-28 | — | — | EP | disclosed |
| US-8642799-B2 | Cysteine protease inhibitors for the treatment of parasitic diseases | MERCK CANADA INC. (CA) | 2014-02-04 | — | — | US | disclosed |
| US-20130244962-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | MERCK FROSST CANADA LTD. (CA) | 2013-09-19 | — | — | US | disclosed |
| US-20100305056-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE | MERCK FROSST CANADA LTD. (CA) | 2010-12-02 | — | — | 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 (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-20100305056-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASE | CTSL, SERPINB1, CTSZ | DPP4 356/4885ADRA2C 4535/4885NR3C1 4242/4885 |
| US-20130244962-A1 | CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES | CTSL, SERPINB1, CTSZ | DPP4 296/4885ADRA2C 4487/4885NR3C1 3924/4885 |
“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.