Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 18/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105352 | 1.00 | CTSS (0.52) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL2103620 | 1.00 | CTSS (0.52) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL697098 | 0.86 | CTSS (0.49) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL3066791 | 0.86 | CTSS (0.65) | CTSS | |
| SCHEMBL3060735 | 0.86 | CTSS (0.65) | CTSS | |
| SCHEMBL697096 | 0.83 | CTSS (0.48) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL697133 | 0.83 | CTSS (0.48) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL696987 | 0.81 | CTSS (0.46) | CTSSCTSLCTSKCTSBKDM4E | |
| SCHEMBL694572 | 0.80 | CTSS (0.56) | CTSSCTSLCTSKCTSB | |
| SCHEMBL694571 | 0.80 | CTSS (0.56) | CTSSCTSLCTSKCTSB |
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 |