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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.49 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.46 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.45 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 6/20 | 0.61 |
| ▸ | ESRRG | P62508 | 3/20 | 0.49 |
| ▸ | ESRRB | O95718 | 2/20 | 0.49 |
| ▸ | ESRRA | P11474 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27484843 | 0.98 | SLC18A3 (0.63) | SLC18A3ESRRGESRRBESR1ESRRA | |
| SCHEMBL1305218 | 0.95 | SLC18A3 (0.58) | SLC18A3ESRRGESRRBESR1ESRRA | |
| SCHEMBL1306061 | 0.92 | SLC18A3 (0.53) | SLC18A3ESRRGESRRBESR1ESRRA | |
| SCHEMBL24244924 | 0.83 | LTA4H (0.47) | SLC18A3ESRRGESRRBESR1ALDH1A1 | |
| SCHEMBL8218040 | 0.81 | HRH3 (0.60) | SLC18A3ESRRGESRRBESR1ESRRA | |
| SCHEMBL3495930 | 0.81 | HDAC8 (0.63) | SMN1; SMN2TSHRALDH1A1L3MBTL1HDAC1 | |
| SCHEMBL4652116 | 0.81 | SLC18A3 (0.53) | SLC18A3SMN1; SMN2TSHRALDH1A1HDAC1 | |
| SCHEMBL13163506 | 0.80 | CYP2D6 (0.52) | SLC18A3ESRRGSMN1; SMN2ALDH1A1CYP2D6 | |
| Iodide SCHEMBL4652115 | 0.80 | SLC18A3 (0.51) | SLC18A3SMN1; SMN2TSHRALDH1A1HDAC1 | |
| SCHEMBL22291720 | 0.79 | KMO (0.62) | SMN1; SMN2TSHRALDH1A1L3MBTL1HDAC1 |
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 | ESR1 3067/4885GRIN2B 3666/4885SIGMAR1 2452/4885 |
| US-20050267129-A1 | Dipeptide nitrile cathepsin K inhibitors | CTSK, CTSL, CTSV | ESR1 1589/4885GRIN2B 4077/4885SIGMAR1 2392/4885 |
| US-20010016207-A1 | Dipeptide nitrile cathepsin K inhibitors | CTSK, CTSC, CTSS | ESR1 3067/4885GRIN2B 3666/4885SIGMAR1 2452/4885 |
| US-20070191392-A1 | DIPEPTIDE NITRILE CATHESPIN K INHIBITORS | CTSL, CTSK, CTSC | ESR1 1943/4885GRIN2B 4044/4885SIGMAR1 1958/4885 |
“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.