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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.51 |
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.49 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.49 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | ESRRG | P62508 | 9/20 | 0.49 |
| ▸ | ESRRB | O95718 | 6/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1305616 | 0.98 | KDM4E (0.64) | KDM4EALDH1A1MAPTPKMUSP2 | |
| SCHEMBL4553749 | 0.92 | KDM4E (0.57) | KDM4EALDH1A1MAPTPKMUSP2 | |
| SCHEMBL14417582 | 0.85 | MAPT (0.64) | KDM4EALDH1A1MAPTPKMHDAC4 | |
| Hydrochloric Acid SCHEMBL3860647 | 0.84 | HRH3 (0.56) | KDM4EALDH1A1MAPTPKMUSP2 | |
| SCHEMBL23610369 | 0.84 | KDM4E (0.71) | KDM4EALDH1A1MAPTUSP2CHEK1 | |
| SCHEMBL17737082 | 0.84 | KDM4E (0.71) | KDM4EALDH1A1MAPTUSP2CHEK1 | |
| SCHEMBL3317266 | 0.83 | KDM4E (0.62) | KDM4EALDH1A1MAPTPKMHDAC4 | |
| Hydrochloric Acid SCHEMBL1222378 | 0.81 | CHEK1 (0.68) | KDM4EALDH1A1MAPTUSP2HDAC4 | |
| SCHEMBL24688920 | 0.81 | MAPT (0.78) | KDM4EALDH1A1MAPTPKMHDAC4 | |
| SCHEMBL4652046 | 0.81 | ALDH1A1 (0.61) | KDM4EALDH1A1MAPTPKMHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1254124-B1 | DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS | NOVARTIS AG (CH) | 2008-07-30 | — | — | EP | disclosed |
| US-20070191392-A1 | DIPEPTIDE NITRILE CATHESPIN K INHIBITORS | NORVARTIS AG (CH) | 2007-08-16 | — | — | US | disclosed |
| US-20050267129-A1 | Dipeptide nitrile cathepsin K inhibitors | NORVARTIS AG (CH) | 2005-12-01 | — | — | US | disclosed |
| US-6642239-B2 | Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide | NOVARTIS AG (CH) | 2003-11-04 | — | — | US | disclosed |
| US-20030203919-A1 | Dipeptide nitrile cathepsin K inhibitors | MISSBACH MARTIN (CH) | 2003-10-30 | — | — | US | disclosed |
| EP-1254124-A1 | DIPEPTIDE NITRILE CATHPSIN K INHIBITORS | Novartis AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| US-20010016207-A1 | Dipeptide nitrile cathepsin K inhibitors | NOVARTIS AG (CH) | 2001-08-23 | — | — | US | disclosed |
| WO-2001058886-A1 | DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS | NOVARTIS AG (CH) | 2001-08-16 | — | — | 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 (4 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-20030203919-A1 | Dipeptide nitrile cathepsin K inhibitors | CTSK, CTSC, CTSS | HDAC4 2027/4885ESR1 3067/4885KCNH2 2664/4885 |
| US-20050267129-A1 | Dipeptide nitrile cathepsin K inhibitors | CTSK, CTSL, CTSV | HDAC4 1779/4885ESR1 1589/4885KCNH2 2680/4885 |
| US-20010016207-A1 | Dipeptide nitrile cathepsin K inhibitors | CTSK, CTSC, CTSS | HDAC4 2027/4885ESR1 3067/4885KCNH2 2664/4885 |
| US-20070191392-A1 | DIPEPTIDE NITRILE CATHESPIN K INHIBITORS | CTSL, CTSK, CTSC | HDAC4 2670/4885ESR1 1943/4885KCNH2 2572/4885 |
“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.