Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 17/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636767 | 0.75 | ADORA2B (0.56) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL9904065 | 0.73 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL2541211 | 0.70 | ADORA2B (0.47) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL12709006 | 0.67 | ADORA2B (1.00) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL538419 | 0.65 | ADORA2B (0.57) | ADORA2BADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL4636158 | 0.64 | ADORA1 (0.48) | ADORA2BADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL4636001 | 0.64 | MAOA (0.43) | ADORA1 | |
| SCHEMBL2536378 | 0.64 | ADORA2A (0.41) | ADORA2BADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL30469481 | 0.63 | GRM5 (0.69) | — | |
| SCHEMBL30469478 | 0.63 | GRM5 (0.69) | — |
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-1939197-A1 | 8-ethinylxanthine derivatives as selective A2A receptor antagonists | SCHWARZ PHARMA AG (DE) | 2008-07-02 | — | — | EP | disclosed |