Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 7/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12953384 | 0.83 | GSK3B (0.40) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL12953645 | 0.77 | CDK2 (0.43) | PIK3CAGSK3BCDK2CHEK1CCNA2 | |
| SCHEMBL17182817 | 0.74 | GSK3B (0.39) | GSK3BCDK2 | |
| SCHEMBL17182815 | 0.74 | GSK3B (0.39) | GSK3BCDK2 | |
| SCHEMBL17182832 | 0.74 | GSK3B (0.39) | GSK3BCDK2 | |
| SCHEMBL12953608 | 0.74 | GSK3B (0.45) | PIK3CAGSK3BCDK2CHEK1CCNA2 | |
| SCHEMBL17182928 | 0.73 | PDE4D (0.37) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL26871203 | 0.72 | CCNT1 (0.36) | CDK2CCNA2CCNA1MAPKAPK2 | |
| SCHEMBL12953210 | 0.72 | GSK3B (0.52) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL26871183 | 0.70 | KDM4E (0.36) | — |
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-2008130569-A1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |