Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 20/20 | 0.58 |
| ▸ | CTSL | P07711 | 11/20 | 0.58 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL694718 | 0.94 | CTSS (0.60) | CTSSCTSLCTSB | |
| SCHEMBL694813 | 0.94 | CTSS (0.60) | CTSSCTSLCTSB | |
| SCHEMBL694031 | 0.88 | CTSS (0.73) | CTSSCTSLCTSB | |
| SCHEMBL694259 | 0.88 | CTSS (0.73) | CTSSCTSLCTSB | |
| SCHEMBL699250 | 0.86 | CTSS (0.52) | CTSSCTSL | |
| SCHEMBL700470 | 0.86 | CTSS (0.52) | CTSSCTSL | |
| SCHEMBL700893 | 0.86 | CTSS (0.52) | CTSSCTSL | |
| SCHEMBL3055507 | 0.85 | CTSS (0.50) | CTSSCTSL | |
| SCHEMBL15327199 | 0.83 | CTSS (0.51) | CTSSCTSL | |
| SCHEMBL15327795 | 0.83 | CTSS (0.51) | CTSSCTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |