Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 4/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | PDE8A | O60658 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | GRK6 | P43250 | 4/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5550127 | 0.89 | CYP3A4 (0.37) | CCNE2CCNE1CDK2IDH1PDE5A | |
| SCHEMBL5548540 | 0.82 | PDE5A (0.32) | PDE5A | |
| SCHEMBL5545617 | 0.79 | CA12 (0.32) | — | |
| SCHEMBL5549402 | 0.77 | ADORA1 (0.43) | GRK6AURKA | |
| SCHEMBL3522851 | 0.77 | CXCR2 (0.35) | — | |
| SCHEMBL5548901 | 0.77 | SLC6A4 (0.38) | PDE5ACYP2C9 | |
| SCHEMBL5548896 | 0.76 | GRK6 (0.34) | CCNE1CDK2MAPKAPK2IDH1GRK6 | |
| SCHEMBL5549831 | 0.75 | GSK3A (0.50) | — | |
| SCHEMBL5548590 | 0.75 | CYP1A2 (0.34) | CYP2C9 | |
| SCHEMBL5549359 | 0.73 | LPAR2 (0.31) | — |
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 |