Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.58 |
| ▸ | CDK4 | P11802 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 6/20 | 0.56 |
| ▸ | GSK3B | P49841 | 8/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30129526 | 0.89 | EGFR (0.64) | CDK2CDK4EGFRGSK3BMKNK1 | |
| SCHEMBL30129461 | 0.86 | EGFR (0.59) | CDK2CDK4EGFRGSK3BMKNK1 | |
| SCHEMBL30108161 | 0.84 | EGFR (0.61) | CDK2EGFRGSK3BMKNK1MKNK2 | |
| SCHEMBL30129482 | 0.84 | EGFR (0.59) | CDK2EGFRGSK3BMKNK1MKNK2 | |
| SCHEMBL2540473 | 0.84 | KDR (0.62) | CDK2CDK4EGFRGSK3BMKNK1 | |
| SCHEMBL28400775 | 0.84 | EGFR (0.61) | CDK2EGFRGSK3BMKNK1MKNK2 | |
| SCHEMBL30129229 | 0.82 | GSK3B (0.76) | CDK2CDK4EGFRGSK3BMKNK1 | |
| SCHEMBL29174412 | 0.82 | EGFR (0.59) | CDK2EGFRGSK3BMKNK1MKNK2 | |
| SCHEMBL30129576 | 0.81 | EGFR (0.68) | EGFRGSK3BMKNK1MKNK2FLT3 | |
| SCHEMBL28856980 | 0.81 | EGFR (0.62) | CDK2CDK4EGFRGSK3BMKNK1 |
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-113563310-B | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | disclosed |