Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2542700 | 0.90 | ADORA1 (0.49) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL4636230 | 0.80 | ADORA1 (0.48) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL4636557 | 0.76 | ADORA2B (0.46) | ADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL4637278 | 0.76 | ADORA2B (0.49) | ADORA2BADORA3ADORA2AMAOBGLA | |
| SCHEMBL2536377 | 0.76 | ADORA2B (0.40) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL12233446 | 0.75 | ADORA3 (0.35) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL2548492 | 0.72 | ADORA1 (0.57) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL4636043 | 0.72 | ADORA3 (0.48) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL2539378 | 0.72 | ADORA1 (0.56) | ADORA2BADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL2537627 | 0.72 | ADORA1 (0.57) | ADORA2BADORA1ADORA2AMAOBGLA |
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 |