Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL697149 | 0.91 | CTSL (0.41) | CTSLCTSBCTSSCTSKHCRTR1 | |
| SCHEMBL697628 | 0.85 | CTSL (0.38) | CTSLCTSBCTSSCTSKULK1 | |
| SCHEMBL696084 | 0.81 | P2RX7 (0.40) | CTSLCTSBCTSSCTSKHCRTR1 | |
| SCHEMBL696304 | 0.79 | FKBP1A (0.39) | CTSSADORA2AADORA1OPRM1OPRD1 | |
| SCHEMBL696379 | 0.78 | EPHX2 (0.38) | CTSLCTSBCTSSCTSKULK1 | |
| SCHEMBL697408 | 0.77 | CNR2 (0.39) | CTSLCTSBCTSSCTSKULK1 | |
| SCHEMBL695533 | 0.77 | OPRM1 (0.41) | CTSSALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL696119 | 0.76 | HSD11B1 (0.41) | CTSLCTSBCTSSCTSKPIK3CD | |
| SCHEMBL695720 | 0.73 | CTSS (0.37) | CTSSADORA2AADORA1OPRM1OPRD1 | |
| SCHEMBL696414 | 0.73 | CTSS (0.70) | CTSLCTSBCTSSCTSK |
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 |