Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.33 |
| ▸ | IDH1 | O75874 | 5/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5548897 | 1.00 | GRK6 (0.34) | GRK6DAPK3ROCK2CHEK2PIM1 | |
| SCHEMBL5549265 | 0.89 | IRAK4 (0.34) | — | |
| SCHEMBL5548540 | 0.85 | PDE5A (0.32) | — | |
| SCHEMBL3522851 | 0.77 | CXCR2 (0.35) | — | |
| SCHEMBL3530206 | 0.76 | BRD4 (0.36) | MAPKAPK2 | |
| SCHEMBL5550127 | 0.76 | CYP3A4 (0.37) | IDH1LDHALDHBCCNE1CDK2 | |
| SCHEMBL5548609 | 0.73 | MAPK1 (0.37) | — | |
| SCHEMBL5549024 | 0.73 | KAT2B (0.41) | — | |
| SCHEMBL5548901 | 0.72 | SLC6A4 (0.38) | — | |
| SCHEMBL3523302 | 0.72 | CCNE1 (0.36) | CCNE1CDK2 |
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-1678180-B1 | SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2007-08-08 | — | — | EP | disclosed |