Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 12/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 8/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 7/20 | 0.51 |
| ▸ | PIM1 | P11309 | 3/20 | 0.51 |
| ▸ | GSK3B | P49841 | 3/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.51 |
| ▸ | CDK2 | P24941 | 3/20 | 0.51 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.51 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.48 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.48 |
| ▸ | CDK8 | P49336 | 2/20 | 0.48 |
| ▸ | CLK2 | P49760 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | CDK9 | P50750 | 2/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30948603 | 1.00 | AURKA (0.51) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL30948599 | 0.84 | GLO1 (0.48) | AURKAAURKBMAPK8GSK3BCLK4 | |
| SCHEMBL29253649 | 0.84 | GLO1 (0.48) | AURKAAURKBMAPK8GSK3BCLK4 | |
| SCHEMBL655435 | 0.84 | NPC1 (0.55) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL22520126 | 0.83 | AURKA (0.48) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL30948608 | 0.83 | EGFR (0.50) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL28665507 | 0.82 | MAPK9 (0.46) | AURKAAURKBGSK3BCDK2CDK9 | |
| SCHEMBL30948627 | 0.77 | ABCG2 (0.46) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL656702 | 0.73 | ALDH1A1 (0.65) | AURKAAURKBMAPK8PIM1GSK3B | |
| SCHEMBL29190558 | 0.72 | ULK1 (0.45) | AURKAGSK3BCDK2JAK2CDK9 |
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-113677680-B | EGFR inhibitor, composition and application thereof | 贝达药业股份有限公司 | 2024-05-10 | — | — | CN | disclosed |