Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.48 |
| ▸ | CDK2 | P24941 | 9/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 7/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12953087 | 0.81 | GSK3B (0.43) | GSK3BCDK2CCNE1 | |
| SCHEMBL12953086 | 0.77 | GSK3B (0.77) | GSK3BCDK2CCNE1 | |
| SCHEMBL13305318 | 0.74 | GSK3B (0.50) | GSK3BCDK2CHRNB2CHRNA4 | |
| SCHEMBL13305616 | 0.73 | GSK3B (0.49) | GSK3BCDK2GBA1CHRNB2CHRNA4 | |
| SCHEMBL14545782 | 0.71 | GSK3B (0.47) | GSK3BCDK2CCNE1 | |
| SCHEMBL12953261 | 0.70 | ALDH1A1 (0.50) | GSK3BCDK2CCNE1MAPK1 | |
| SCHEMBL14050897 | 0.70 | GSK3B (0.43) | GSK3BCDK2CCNE1 | |
| SCHEMBL14043147 | 0.69 | GSK3B (0.46) | GSK3BCDK2CCNE1ADORA2A | |
| SCHEMBL12953386 | 0.69 | GSK3B (0.80) | GSK3BCDK2CCNE1 | |
| SCHEMBL12954277 | 0.68 | GSK3B (0.42) | GSK3BCDK2CCNE1MAPK1 |
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-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |