Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 6/20 | 0.94 |
| ▸ | AURKA | O14965 | 2/20 | 0.94 |
| ▸ | KDR | P35968 | 13/20 | 0.84 |
| ▸ | EGFR | P00533 | 1/20 | 0.82 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.82 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8807597 | 0.99 | AURKB (0.92) | AURKBAURKAKDREGFRMAPK14 | |
| Anilinoquinazoline1 SCHEMBL1066538 | 0.97 | AURKB (1.00) | AURKBAURKAKDREGFRMAPK14 | |
| Anilinoquinazoline1 SCHEMBL30195580 | 0.97 | AURKB (1.00) | AURKBAURKAKDREGFRMAPK14 | |
| Anilinoquinazoline1 SCHEMBL3968007 | 0.96 | AURKB (0.98) | AURKBAURKAKDREGFRMAPK14 | |
| SCHEMBL6785711 | 0.90 | MAPK14 (1.00) | AURKBAURKAKDREGFRMAPK14 | |
| SCHEMBL3531809 | 0.90 | AURKB (1.00) | AURKBAURKAKDREGFRMAPK14 | |
| Hydrochloric Acid SCHEMBL3533953 | 0.90 | AURKB (0.86) | AURKBAURKAKDREGFRMAPK14 | |
| SCHEMBL3529625 | 0.90 | AURKB (0.86) | AURKBAURKAKDREGFRMAPK14 | |
| SCHEMBL3527282 | 0.89 | AURKB (0.94) | AURKBAURKAKDREGFRMAPK14 | |
| SCHEMBL3530823 | 0.89 | AURKB (1.00) | AURKBAURKAKDREGFRMAPK14 |
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-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |