Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.51 |
| ▸ | CDK2 | P24941 | 7/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CDK7 | P50613 | 3/20 | 0.38 |
| ▸ | CCNH | P51946 | 3/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12952915 | 0.90 | GSK3B (0.64) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL12954197 | 0.81 | GSK3B (0.63) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13304620 | 0.80 | GSK3B (0.50) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13305680 | 0.80 | GSK3B (0.55) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13146410 | 0.78 | GSK3B (0.79) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13146206 | 0.77 | GSK3B (0.51) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13305099 | 0.77 | GSK3B (0.57) | GSK3BCDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL13305175 | 0.74 | GSK3B (0.48) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL24791650 | 0.73 | GSK3B (0.56) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL13118710 | 0.71 | GSK3B (0.44) | GSK3BCDK2CCNE1 |
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-1537116-B1 | PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |