Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.67 |
| ▸ | CTSL | P07711 | 3/20 | 0.62 |
| ▸ | CTSB | P07858 | 3/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL699313 | 0.92 | CTSS (0.73) | CTSSCTSLCTSB | |
| SCHEMBL701185 | 0.89 | CTSS (0.63) | CTSSCTSLCTSB | |
| SCHEMBL696655 | 0.88 | CTSS (0.78) | CTSS | |
| SCHEMBL699864 | 0.87 | CTSS (0.60) | CTSSCTSLCTSB | |
| SCHEMBL695989 | 0.86 | CTSL (0.75) | CTSSCTSLCTSB | |
| SCHEMBL700214 | 0.84 | CTSS (0.64) | CTSSCTSLCTSB | |
| SCHEMBL700206 | 0.84 | CTSS (0.45) | CTSSCTSLCTSB | |
| SCHEMBL15327344 | 0.83 | CTSS (0.55) | CTSSCTSLCTSB | |
| SCHEMBL699204 | 0.82 | CTSS (0.56) | CTSSCTSLCTSB | |
| SCHEMBL15327266 | 0.81 | CTSS (0.55) | CTSSCTSLCTSB |
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 |