Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 13/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3052580 | 0.84 | AURKA (0.40) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL13985690 | 0.81 | AURKA (0.41) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL3042868 | 0.79 | LCK (0.50) | CHEK1AURKAAURKB | |
| SCHEMBL4531353 | 0.79 | AURKA (0.45) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL13985760 | 0.77 | AURKA (0.41) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL14463650 | 0.75 | KDM4E (0.54) | CHEK1AURKAEGFR | |
| SCHEMBL13087997 | 0.75 | AURKA (0.38) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL3051089 | 0.75 | TNK2 (0.45) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL14021464 | 0.74 | AURKA (0.45) | CHEK1AURKAAURKBEGFR | |
| SCHEMBL3053586 | 0.74 | AURKA (0.42) | CHEK1AURKAAURKBEGFR |
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-2008155017-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-12-24 | — | — | WO | disclosed |