Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MAPKAPK2 | P49137 | 9/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | PLK1 | P53350 | 2/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.48 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.48 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | PRKX | P51817 | 1/20 | 0.48 |
| ▸ | NEK4 | P51957 | 1/20 | 0.48 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.48 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4560397 | 0.92 | CXCR2 (0.44) | CYP3A4CYP2C9MAPKAPK2AURKBMAPK1 | |
| SCHEMBL4378340 | 0.79 | HTT (0.50) | CYP3A4CYP2C9MAPKAPK2AURKBMAPK1 | |
| SCHEMBL4153139 | 0.75 | GAA (0.71) | MAPK1SOS1GAAL3MBTL1 | |
| SCHEMBL4371405 | 0.74 | ALDH1A1 (0.58) | MAPK1GAAL3MBTL1 | |
| SCHEMBL17920542 | 0.70 | MAPKAPK2 (0.80) | CYP3A4CYP2C9MAPKAPK2AURKBMAPK1 | |
| SCHEMBL4374908 | 0.68 | MAPKAPK2 (0.55) | CYP3A4CYP2C9MAPKAPK2AURKBMAPK1 | |
| SCHEMBL6009184 | 0.66 | GRM7 (0.64) | CYP3A4SOS1 | |
| SCHEMBL11390159 | 0.66 | RECQL (0.75) | GAA | |
| SCHEMBL27787057 | 0.66 | HPGD (0.77) | CYP3A4SOS1 | |
| SCHEMBL918020 | 0.65 | HTR6 (0.49) | SOS1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |