Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.71 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.71 |
| ▸ | TBK1 | Q9UHD2 | 11/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4317450 | 0.90 | AURKA (0.76) | AURKAAURKBTBK1CDK5CDK5R1 | |
| SCHEMBL4317456 | 0.90 | AURKA (0.76) | AURKAAURKBTBK1CDK5CDK5R1 | |
| SCHEMBL4313197 | 0.89 | AURKA (0.74) | AURKAAURKBCDK5CDK5R1 | |
| SCHEMBL4313205 | 0.89 | AURKA (0.74) | AURKAAURKBCDK5CDK5R1 | |
| SCHEMBL4313874 | 0.89 | AURKA (0.79) | AURKAAURKBCDK5CDK5R1CHEK1 | |
| SCHEMBL4316361 | 0.89 | AURKA (0.56) | AURKAAURKB | |
| SCHEMBL4322572 | 0.89 | AURKA (0.56) | AURKAAURKBTBK1CHEK1IKBKE | |
| SCHEMBL4313866 | 0.89 | AURKA (0.79) | AURKAAURKBCDK5CDK5R1CHEK1 | |
| SCHEMBL4316358 | 0.89 | AURKA (0.56) | AURKAAURKB | |
| Kw-2450 Free Base SCHEMBL4314873 | 0.89 | AURKA (0.87) | AURKAAURKBTBK1CDK5CDK5R1 |
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-2012026511-A1 | PHARMACEUTICAL COMPOSITION | 協和発酵キリン株式会社 (JP) | 2012-03-01 | — | — | WO | disclosed |