Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 3/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.42 |
| ▸ | PRKX | P51817 | 1/20 | 0.42 |
| ▸ | NEK4 | P51957 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4362296 | 0.92 | CYP3A4 (0.48) | CXCR2CXCR1HDAC1CYP3A4CYP2C9 | |
| SCHEMBL4542525 | 0.73 | ALDH1A1 (0.58) | MAPK1KDM4ELMNA | |
| SCHEMBL4371405 | 0.73 | ALDH1A1 (0.58) | MAPK1KDM4ELMNA | |
| SCHEMBL4378340 | 0.72 | HTT (0.50) | CXCR2CXCR1HDAC1CYP3A4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL17460197 | 0.72 | OPRD1 (0.56) | CACNA1BOPRD1 | |
| Trifluoroacetic Acid SCHEMBL5034045 | 0.72 | SOS1 (0.56) | CYP2D6CACNA1BHRH4HRH3KDM4E | |
| Trifluoroacetic Acid SCHEMBL4690307 | 0.69 | CACNA1B (0.54) | CYP2D6CACNA1BHRH4HRH3EPHX1 | |
| Trifluoroacetic Acid SCHEMBL4691138 | 0.69 | CACNA1B (0.54) | CYP2D6CACNA1BHRH4HRH3EPHX1 | |
| SCHEMBL4153139 | 0.68 | GAA (0.71) | MAPK1EPHX1LMNA | |
| Trifluoroacetic Acid SCHEMBL23211912 | 0.67 | OPRD1 (0.54) | OPRD1 |
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 |