Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 17/20 | 0.54 |
| ▸ | CTSC | P53634 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL697466 | 0.84 | CTSS (0.58) | CTSSCTSCCTSLCTSBCTSK | |
| Trifluoroacetic Acid SCHEMBL694517 | 0.79 | CTSS (0.71) | CTSSCTSCCTSLCTSBCTSK | |
| SCHEMBL2106602 | 0.76 | CTSC (0.55) | CTSSCTSCCTSLCTSBCTSK | |
| Trifluoroacetic Acid SCHEMBL696134 | 0.76 | ARG1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2105547 | 0.75 | CTSC (0.54) | CTSSCTSCCTSLCTSBCTSK | |
| SCHEMBL695731 | 0.75 | CTSC (0.63) | CTSSCTSCCTSLCTSBCTSK | |
| SCHEMBL696171 | 0.72 | CTSS (0.60) | CTSS | |
| SCHEMBL2105880 | 0.72 | ARG1 (0.46) | — | |
| SCHEMBL695956 | 0.70 | CTSS (1.00) | CTSSCTSCCTSLCTSB | |
| SCHEMBL696004 | 0.70 | CTSS (1.00) | CTSSCTSCCTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |