Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 17/20 | 0.46 |
| ▸ | CTSL | P07711 | 14/20 | 0.43 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3061355 | 0.91 | CTSS (0.47) | CTSSCTSLCTSBCTSKRORC | |
| SCHEMBL3064422 | 0.91 | CTSS (0.47) | CTSSCTSLCTSBCTSKRORC | |
| SCHEMBL694952 | 0.84 | CTSS (0.40) | CTSSCTSLCTSBCTSKRORC | |
| SCHEMBL696159 | 0.83 | CTSS (0.59) | CTSSCTSLCTSK | |
| SCHEMBL695526 | 0.83 | CTSS (0.59) | CTSSCTSLCTSK | |
| SCHEMBL695605 | 0.81 | CTSS (0.37) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15173261 | 0.77 | GRIK1 (0.42) | CTSSCTSLCTSK | |
| SCHEMBL2683622 | 0.77 | CTSS (0.46) | CTSSCTSLCTSB | |
| SCHEMBL695848 | 0.77 | CTSS (0.46) | CTSSCTSLCTSB | |
| SCHEMBL14973939 | 0.77 | CTSS (0.46) | CTSSCTSLCTSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| 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 |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |