Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 9/20 | 0.61 |
| ▸ | CDK2 | P24941 | 10/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.53 |
| ▸ | CDK9 | P50750 | 4/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.44 |
| ▸ | GSK3A | P49840 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CCNK | O75909 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | ERCC2 | P18074 | 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 | |
|---|---|---|---|---|
| SCHEMBL12953455 | 0.90 | CDK2 (0.61) | GSK3BCDK2CCNE1CCNA2CCNA1 | |
| SCHEMBL12953819 | 0.89 | GSK3B (0.61) | GSK3BCDK2CCNE1CDK9CDK5 | |
| SCHEMBL27369472 | 0.80 | GSK3B (0.76) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL12953359 | 0.79 | GSK3B (0.69) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL27370878 | 0.79 | GSK3B (0.72) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL13146697 | 0.78 | GSK3B (0.71) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL30356813 | 0.78 | GSK3B (0.70) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL27370456 | 0.77 | GSK3B (0.69) | GSK3BCDK2CCNE1MEN1NPC1 | |
| SCHEMBL12953029 | 0.77 | GSK3B (1.00) | GSK3BCDK2CCNE1 | |
| SCHEMBL12953189 | 0.76 | GSK3B (0.71) | GSK3BCDK2CCNE1MEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720882-B1 | PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORP (US) | 2011-01-05 | — | — | EP | disclosed |