Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14722236 | 0.86 | PTGES (0.37) | PTGESNPC1ALDH1A1RAB9APARP1 | |
| SCHEMBL14723164 | 0.86 | PTGES (0.35) | PTGESPARP1 | |
| SCHEMBL14722798 | 0.84 | PTGES (0.33) | PTGESPARP1 | |
| SCHEMBL14722545 | 0.71 | NPC1 (0.39) | PTGESNPC1ALDH1A1RAB9A | |
| SCHEMBL8595905 | 0.68 | PNMT (0.33) | — | |
| SCHEMBL14723244 | 0.68 | NPC1 (0.34) | NPC1ALDH1A1RAB9A | |
| SCHEMBL29981260 | 0.67 | NPC1 (0.53) | NPC1ALDH1A1RAB9A | |
| SCHEMBL6947441 | 0.67 | PTGES (0.36) | PTGES | |
| SCHEMBL3115347 | 0.67 | PTGES (0.37) | PTGES | |
| SCHEMBL6320948 | 0.66 | PTGES (0.35) | PTGES |
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-2748159-A1 | SERINE/THREONINE PAK1 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026914-A1 | SERINE/THREONINE PAK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-28 | — | — | WO | disclosed |