Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 19/20 | 0.75 |
| ▸ | LCK | P06239 | 3/20 | 0.67 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.65 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.65 |
| ▸ | KDR | P35968 | 1/20 | 0.65 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.65 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.65 |
| ▸ | AURKA | O14965 | 1/20 | 0.64 |
| ▸ | FLT3 | P36888 | 1/20 | 0.64 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL13954835 | 0.88 | AURKB (0.78) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL13983631 | 0.85 | AURKB (0.86) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL12588212 | 0.85 | AURKB (0.76) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL13954597 | 0.84 | LCK (0.80) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL13155437 | 0.83 | LCK (0.79) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL13155431 | 0.82 | AURKB (0.79) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL12473151 | 0.81 | LCK (1.00) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL13954905 | 0.81 | CHEK1 (0.73) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL12588159 | 0.81 | LCK (0.69) | AURKBLCKCHEK1RPS6KA3KDR | |
| SCHEMBL12588157 | 0.80 | AURKB (0.89) | AURKBLCKCHEK1RPS6KA3KDR |
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-2009137378-A2 | SEQUENTIAL ADMINISTRATION OF CHEMOTHERAPEUTIC AGENTS FOR TREATMENT OF CANCER | SCHERING CORPORATION (US) | 2009-11-12 | — | — | WO | disclosed |