Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 6/20 | 0.55 |
| ▸ | GSK3B | P49841 | 3/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | MET | P08581 | 2/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215935 | 0.82 | DYRK1A (0.52) | DYRK1AGSK3BMKNK1MKNK2 | |
| SCHEMBL29870510 | 0.78 | CDC7 (0.60) | DYRK1AGSK3BCDK2CLK1CDK5 | |
| SCHEMBL5750318 | 0.78 | CDC7 (0.60) | DYRK1AGSK3BCDK2CLK1CDK5 | |
| SCHEMBL28784436 | 0.77 | GSK3B (0.64) | GSK3BEGFRMKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL5749287 | 0.77 | CDC7 (0.59) | DYRK1AGSK3BCDK2CLK1CDK5 | |
| SCHEMBL27809421 | 0.75 | GSK3B (0.61) | GSK3BCDK2EGFRMKNK1MKNK2 | |
| SCHEMBL27835236 | 0.72 | CDK5 (0.47) | DYRK1AGSK3BCDK2CLK1CDK5 | |
| SCHEMBL29803062 | 0.71 | DYRK1A (0.55) | DYRK1AGSK3BCDK2CLK1CDK5 | |
| SCHEMBL30883818 | 0.71 | GSK3B (0.49) | DYRK1AGSK3BCDK2DYRK1BEGFR | |
| SCHEMBL17822343 | 0.71 | GSK3B (0.49) | DYRK1AGSK3BCDK2DYRK1BEGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108218838-B | Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 青岛海洋生物医药研究院股份有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-108218838-A | Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 青岛海洋生物医药研究院股份有限公司 | 2018-06-29 | — | — | CN | disclosed |