Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.37 |
| ▸ | CDK9 | P50750 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3524063 | 0.79 | CDK1 (0.59) | TDO2CDK2CDK1CDK4CCND1 | |
| SCHEMBL4352534 | 0.78 | CDK1 (0.59) | CDK2CDK1CDK4CCND1MAPK8 | |
| SCHEMBL4730769 | 0.75 | CDK1 (0.67) | TDO2CDK2CDK1CDK4CCND1 | |
| SCHEMBL3524565 | 0.71 | CDK1 (0.50) | TDO2CDK2CDK1CDK4CCND1 | |
| SCHEMBL4354535 | 0.69 | CDK1 (0.53) | CDK2CDK1CDK4CCND1 | |
| SCHEMBL4359245 | 0.68 | CDK1 (0.55) | CDK2CDK1CDK4CCND1MAPT | |
| SCHEMBL4358772 | 0.66 | CDK1 (0.56) | CDK2CDK1CDK4CCND1CDK9 | |
| SCHEMBL4352650 | 0.66 | CDK1 (0.79) | CDK2CDK1CDK4CCND1CDK9 | |
| SCHEMBL4352509 | 0.66 | CDK1 (0.56) | CDK2CDK1CDK4CCND1CDK9 | |
| SCHEMBL4354378 | 0.65 | CDK1 (0.51) | CDK2CDK1CDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957466-A1 | 4-AMINOPYRIMIDINE-5-THIONE-DERIVATIVES FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007060110-A1 | 4-AMINOPYRIMIDINE-5-THIONE-DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-05-31 | — | — | WO | disclosed |