Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 16/20 | 0.49 |
| ▸ | ELOVL6 | Q9H5J4 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 5/20 | 0.39 |
| ▸ | CTSB | P07858 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2104910 | 1.00 | CTSS (0.49) | CTSSELOVL6SMN1; SMN2CTSLCTSB | |
| SCHEMBL696030 | 0.91 | CTSS (0.45) | CTSSELOVL6CTSLCTSBCTSK | |
| SCHEMBL694697 | 0.90 | ELOVL6 (0.41) | CTSSELOVL6SMN1; SMN2CTSLCTSB | |
| SCHEMBL2105211 | 0.90 | ELOVL6 (0.41) | CTSSELOVL6SMN1; SMN2CTSLCTSB | |
| SCHEMBL2105284 | 0.87 | SMN1; SMN2 (0.41) | CTSSSMN1; SMN2CTSLCTSBCTSK | |
| SCHEMBL696422 | 0.87 | SMN1; SMN2 (0.41) | CTSSSMN1; SMN2CTSLCTSBCTSK | |
| SCHEMBL697407 | 0.86 | CTSS (0.52) | CTSSSMN1; SMN2CTSLCTSBCTSK | |
| SCHEMBL2105017 | 0.86 | CTSS (0.52) | CTSSSMN1; SMN2CTSLCTSBCTSK | |
| SCHEMBL695699 | 0.85 | CTSS (0.58) | CTSSCTSLCTSB | |
| SCHEMBL694847 | 0.84 | CTSS (0.49) | 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 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 |