Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 16/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.52 |
| ▸ | CTSK | P43235 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105017 | 1.00 | CTSS (0.52) | CTSSCTSLCTSBCTSKSMN1; SMN2 | |
| SCHEMBL696805 | 0.91 | CTSS (0.50) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695448 | 0.88 | CTSS (0.49) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695447 | 0.88 | CTSS (0.49) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695446 | 0.88 | CTSS (0.49) | CTSSCTSLCTSBCTSK | |
| SCHEMBL2104910 | 0.86 | CTSS (0.49) | CTSSCTSLCTSBCTSKSMN1; SMN2 | |
| SCHEMBL695189 | 0.86 | CTSS (0.49) | CTSSCTSLCTSBCTSKSMN1; SMN2 | |
| SCHEMBL694047 | 0.86 | CTSS (0.56) | CTSS | |
| SCHEMBL696422 | 0.85 | SMN1; SMN2 (0.41) | CTSSCTSLCTSBCTSKSMN1; SMN2 | |
| SCHEMBL2105284 | 0.85 | SMN1; SMN2 (0.41) | CTSSCTSLCTSBCTSKSMN1; SMN2 |
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 |