Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | PBK | Q96KB5 | 12/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | BCL3 | P20749 | 1/20 | 0.42 |
| ▸ | IL1B | P01584 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8262274 | 0.83 | CDK2 (0.50) | CDK2CCNA2CHEK1CDK1CCNB1 | |
| SCHEMBL8219744 | 0.83 | CDK2 (0.50) | CDK2CCNA2CHEK1CDK1CCNB1 | |
| SCHEMBL16995287 | 0.78 | CDK2 (0.45) | CDK2CCNA2CHEK1CDK1CCNB1 | |
| SCHEMBL16430956 | 0.75 | CHEK1 (0.50) | CHEK1PBK | |
| SCHEMBL29849867 | 0.75 | CHEK1 (0.50) | CHEK1PBK | |
| SCHEMBL19127051 | 0.72 | PBK (0.51) | CHEK1PBK | |
| SCHEMBL13162901 | 0.71 | PBK (0.55) | CHEK1PBK | |
| SCHEMBL8261337 | 0.71 | CCNA2 (0.57) | CDK2CCNA2CDK1CCNB1 | |
| SCHEMBL12061996 | 0.70 | CDK2 (0.64) | CDK2CCNA2CDK1CCNB1CCNT1 | |
| SCHEMBL8219257 | 0.70 | CDK2 (0.56) | CDK2CCNA2CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |