Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.49 |
| ▸ | TDP2 | O95551 | 1/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5102084 | 0.86 | CYP19A1 (0.49) | ALDH1A1HTTADRB2MAPTNPC1 | |
| SCHEMBL1837653 | 0.84 | CTSB (0.67) | ALDH1A1HTTCTSBCTSSMAPT | |
| SCHEMBL6206153 | 0.84 | SMN1; SMN2 (0.47) | ALDH1A1HTTADRB2EPHX2MAPT | |
| SCHEMBL23242479 | 0.83 | CNR1 (0.52) | ALDH1A1HTTADRB2CTSBCTSS | |
| SCHEMBL1837974 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HTTADRB2EPHX2CTSB | |
| SCHEMBL13502664 | 0.80 | CNR2 (0.42) | ALDH1A1HTTADRB2CTSBCTSS | |
| SCHEMBL23265261 | 0.80 | GAA (0.51) | ALDH1A1HTTADRB2MEN1KMT2A | |
| SCHEMBL13570375 | 0.79 | HTT (0.50) | ALDH1A1HTTADRB2EPHX2MAPT | |
| SCHEMBL5110701 | 0.79 | EPHX2 (0.49) | ALDH1A1HTTADRB2EPHX2CTSB | |
| SCHEMBL4079580 | 0.78 | LMNA (0.45) | ALDH1A1HTTCTSBCTSSMAPT |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | claimed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | claimed |
| US-8957205-B2 | Cycloalkane carboxamide derivatives and production process of same | SEIKAGAKU CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |
| US-8957205-B2 | Cycloalkane carboxamide derivatives and production process of same | SEIKAGAKU CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |
| US-8957205-B2 | Cycloalkane carboxamide derivatives and production process of same | SEIKAGAKU CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |
| US-8829209-B2 | Cycloalkylcarbonylamino acid ester derivative and process for producing the same | SEIKAGAKU CORPORATION (JP) | 2014-09-09 | — | — | US | disclosed |
| US-8829209-B2 | Cycloalkylcarbonylamino acid ester derivative and process for producing the same | SEIKAGAKU CORPORATION (JP) | 2014-09-09 | — | — | US | disclosed |
| US-8829209-B2 | Cycloalkylcarbonylamino acid ester derivative and process for producing the same | SEIKAGAKU CORPORATION (JP) | 2014-09-09 | — | — | US | disclosed |
| US-8785631-B2 | Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core | SEIKAGAKU CORPORATION (JP) | 2014-07-22 | — | — | US | disclosed |
| US-8785631-B2 | Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core | SEIKAGAKU CORPORATION (JP) | 2014-07-22 | — | — | US | disclosed |
| US-8785631-B2 | Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core | SEIKAGAKU CORPORATION (JP) | 2014-07-22 | — | — | US | disclosed |
| CN-101370773-A | Cycloalkanecarboxamide derivative and method for producing same | SEIKAGAKU KOGYO CO LTD (JP) | 2009-02-18 | — | — | CN | disclosed |
| EP-1975162-A1 | OXAZOLONE DERIVATIVE | SEIKAGAKU CORPORATION (JP) | 2008-10-01 | — | — | EP | disclosed |
| EP-1972636-A1 | CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | SEIKAGAKU CORPORATION (JP) | 2008-09-24 | — | — | EP | disclosed |
| EP-1972615-A1 | CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME | SEIKAGAKU CORPORATION (JP) | 2008-09-24 | — | — | EP | disclosed |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| EP-1294679-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |
| US-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | HOFFMANN-LA ROCHE INC. | 2002-02-07 | — | — | US | disclosed |
| WO-2001096285-A1 | BETA-AMINO ACID NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-20 | — | — | 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 (1 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-20020016361-A1 | Beta-amino acid nitrile derivatives as cathepsin K inhibitors | CTSK, CTSH, UACA | ALDH1A1 3459/4885HTT 3263/4885ADRB2 427/4885 |
“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.