Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 14/20 | 1.00 |
| ▸ | AURKB | Q96GD4 | 8/20 | 1.00 |
| ▸ | GSK3B | P49841 | 8/20 | 0.65 |
| ▸ | SRC | P12931 | 7/20 | 0.65 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.65 |
| ▸ | GSK3A | P49840 | 1/20 | 0.65 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.55 |
| ▸ | JAK2 | O60674 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | JAK1 | P23458 | 3/20 | 0.55 |
| ▸ | TYK2 | P29597 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | JAK3 | P52333 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL173501 | 0.93 | AURKA (0.88) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174480 | 0.92 | AURKA (0.84) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174477 | 0.88 | AURKA (0.79) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174554 | 0.87 | AURKA (0.76) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174487 | 0.86 | AURKA (0.74) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL173666 | 0.85 | AURKA (0.73) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174645 | 0.84 | AURKA (0.72) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL160645 | 0.83 | AURKA (0.71) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174414 | 0.83 | AURKA (0.73) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL174382 | 0.83 | AURKA (0.71) | AURKAAURKBGSK3BSRCEIF2AK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106957303-B | Quinazoline derivant of selective Aurora A kinase inhibiting activity and preparation method thereof and application | 中山大学 | 2019-06-04 | — | — | CN | disclosed |