Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2548492 | 0.95 | ADORA1 (0.57) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL2537627 | 0.92 | ADORA1 (0.57) | ADORA1ADORA2AMAOBADORA2B | |
| SCHEMBL4950417 | 0.91 | ADORA1 (0.53) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL4725744 | 0.91 | ADORA1 (0.53) | ADORA1ADORA2AMAOBADORA2B | |
| SCHEMBL4947786 | 0.91 | ADORA1 (0.53) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL4636251 | 0.90 | ADORA1 (0.53) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL4636192 | 0.89 | ADORA1 (0.56) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL4636568 | 0.89 | ADORA1 (0.52) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL2538825 | 0.89 | ADORA1 (0.53) | ADORA1ADORA2AMAOBADORA2BADORA3 | |
| SCHEMBL16199476 | 0.87 | ADORA1 (0.56) | ADORA1ADORA2AMAOBADORA2BADORA3 |
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 |