Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.59 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.56 |
| ▸ | FLT3 | P36888 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | PRKCA | P17252 | 1/20 | 0.53 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.53 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3610830 | 0.88 | ABL1 (0.54) | EGFRGSK3BEIF2AK2CDK2ABL1 | |
| SCHEMBL30129517 | 0.88 | EGFR (0.68) | EGFRMKNK1MKNK2GSK3BEIF2AK2 | |
| SCHEMBL2540473 | 0.87 | KDR (0.62) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL30108161 | 0.87 | EGFR (0.61) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL28400775 | 0.87 | EGFR (0.61) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL30129461 | 0.87 | EGFR (0.59) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL30129229 | 0.85 | GSK3B (0.76) | EGFRMKNK1MKNK2GSK3BCDK2 | |
| SCHEMBL30129283 | 0.84 | CDK2 (0.58) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL29896661 | 0.84 | EGFR (0.59) | EGFRMKNK1MKNK2GSK3BFLT3 | |
| SCHEMBL30129425 | 0.84 | EGFR (0.59) | EGFRMKNK1MKNK2GSK3BFLT3 |
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 |