Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.61 |
| ▸ | CPB1 | P15086 | 2/20 | 0.53 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CTSK | P43235 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6382690 | 1.00 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6382207 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6382198 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6386122 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6384125 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6382128 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL6382203 | 0.86 | CASP3 (0.61) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL8297382 | 0.83 | CASP3 (0.58) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL5349983 | 0.83 | CASP3 (0.58) | CASP3CPB1CTSBCTSKCTSS | |
| SCHEMBL27450139 | 0.82 | TACR1 (0.53) | CTSBCTSKCTSSCTSLALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | CASP3 737/4885CPB1 72/4885CTSB 5/4885 |
“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.