Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 15/20 | 0.37 |
| ▸ | CTSL | P07711 | 9/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL695657 | 0.91 | CTSS (0.38) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695079 | 0.84 | CTSS (0.36) | CTSSCTSLCTSB | |
| SCHEMBL697726 | 0.83 | CTSS (0.50) | CTSSCTSLCTSB | |
| SCHEMBL695622 | 0.83 | CTSS (0.37) | CTSSCTSLCTSBCTSK | |
| Hydrochloric Acid SCHEMBL694103 | 0.83 | CTSS (0.49) | CTSSCTSLCTSB | |
| SCHEMBL695639 | 0.82 | CTSS (0.39) | CTSSCTSLCTSB | |
| SCHEMBL693779 | 0.79 | CTSL (0.36) | CTSSCTSLCTSBCTSK | |
| SCHEMBL696291 | 0.78 | CTSS (0.42) | CTSSCTSLCTSB | |
| Hydrochloric Acid SCHEMBL695363 | 0.78 | CTSS (0.42) | CTSSCTSLCTSB | |
| SCHEMBL695525 | 0.77 | CTSS (0.35) | 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 3 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 | claimed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | claimed |
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |