Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.38 |
| ▸ | CTSL | P07711 | 10/20 | 0.38 |
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3727566 | 0.87 | CTSS (0.37) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3719587 | 0.86 | CTSS (0.39) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066400 | 0.82 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066391 | 0.82 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066389 | 0.82 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3716343 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3718796 | 0.79 | CYP1A2 (0.42) | CTSSALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3070456 | 0.73 | CTSS (0.44) | CTSSCTSLALDH1A1LMNACYP1A2 | |
| SCHEMBL3793817 | 0.73 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3802602 | 0.73 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |