Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 19/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL695408 | 1.00 | CTSS (0.54) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL3068357 | 0.95 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3062050 | 0.95 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3064969 | 0.95 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15327116 | 0.94 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695809 | 0.94 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695808 | 0.94 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15327115 | 0.94 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3074378 | 0.94 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL694735 | 0.94 | CTSS (0.54) | CTSSCTSLCTSBCTSK |
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 |