Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 18/20 | 0.71 |
| ▸ | CTSL | P07711 | 14/20 | 0.54 |
| ▸ | CTSB | P07858 | 14/20 | 0.54 |
| ▸ | CTSC | P53634 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15194176 | 0.85 | CTSS (0.68) | CTSSCTSLCTSBCTSCCTSK | |
| SCHEMBL15194658 | 0.83 | CTSS (0.62) | CTSSCTSLCTSBCTSC | |
| SCHEMBL15193990 | 0.83 | CTSS (0.62) | CTSSCTSLCTSBCTSCCTSK | |
| SCHEMBL695956 | 0.83 | CTSS (1.00) | CTSSCTSLCTSBCTSC | |
| SCHEMBL696004 | 0.83 | CTSS (1.00) | CTSSCTSLCTSBCTSC | |
| Trifluoroacetic Acid SCHEMBL697466 | 0.83 | CTSS (0.58) | CTSSCTSLCTSBCTSCCTSK | |
| Hydrochloric Acid SCHEMBL695373 | 0.82 | CTSS (0.98) | CTSSCTSLCTSBCTSC | |
| SCHEMBL15194495 | 0.82 | CTSS (0.60) | CTSSCTSLCTSBCTSCCTSK | |
| SCHEMBL695422 | 0.81 | CTSS (0.75) | CTSSCTSLCTSBCTSC | |
| Hydrochloric Acid SCHEMBL695411 | 0.80 | CTSS (0.74) | CTSSCTSLCTSBCTSC |
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 |
|---|---|---|---|---|---|---|---|
| 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 |