Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5549321 | 0.75 | ADORA1 (0.31) | ADORA1 | |
| SCHEMBL3530206 | 0.75 | BRD4 (0.36) | — | |
| SCHEMBL5548896 | 0.72 | GRK6 (0.34) | — | |
| SCHEMBL5548540 | 0.72 | PDE5A (0.32) | PDE5A | |
| SCHEMBL5545476 | 0.70 | ADORA1 (0.39) | ADORA1PDE5A | |
| SCHEMBL3522851 | 0.69 | CXCR2 (0.35) | — | |
| SCHEMBL5548625 | 0.69 | ADORA1 (0.41) | ADORA1 | |
| SCHEMBL5548893 | 0.67 | GSK3A (0.49) | ADORA1 | |
| SCHEMBL3525610 | 0.66 | GSK3B (0.55) | ADORA1 | |
| SCHEMBL4923835 | 0.66 | TAAR1 (0.43) | — |
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 |