Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 15/20 | 0.40 |
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL696102 | 0.92 | CTSS (0.40) | CTSSARNR1H2NR1H3 | |
| SCHEMBL694475 | 0.89 | CTSS (0.38) | CTSSAR | |
| SCHEMBL696732 | 0.88 | CTSS (0.41) | CTSSAR | |
| SCHEMBL696142 | 0.88 | CTSS (0.38) | CTSSAR | |
| SCHEMBL695949 | 0.86 | CTSS (0.41) | CTSS | |
| SCHEMBL697004 | 0.85 | CTSS (0.39) | CTSSAR | |
| SCHEMBL695640 | 0.85 | CTSS (0.40) | CTSSAR | |
| SCHEMBL696556 | 0.85 | CTSS (0.41) | CTSSAR | |
| SCHEMBL707038 | 0.83 | CTSS (0.46) | CTSS | |
| SCHEMBL696265 | 0.83 | CTSS (0.46) | CTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |