Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2541199 | 0.95 | ADORA2A (0.47) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL2544916 | 0.88 | ADORA2A (0.42) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL2535848 | 0.88 | ADORA2A (0.52) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4952854 | 0.84 | ADORA2A (0.42) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4953221 | 0.82 | ADORA2A (0.52) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4950213 | 0.82 | ADORA2A (0.44) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4951282 | 0.80 | ADORA2A (0.44) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4951241 | 0.80 | ADORA2A (0.48) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL12233261 | 0.80 | ADORA3 (0.38) | ADORA2AADORA3MAOBADORA2BADORA1 | |
| SCHEMBL4950606 | 0.80 | ADORA2A (0.43) | ADORA2AADORA3MAOBADORA2BADORA1 |
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 |