Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 19/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 19/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 17/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL14538873 | 1.00 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2289136 | 1.00 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL13296874 | 1.00 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL13296838 | 1.00 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7459932 | 0.97 | ADORA3 (0.64) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL13296837 | 0.97 | ADORA3 (0.64) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL13314999 | 0.95 | ADORA3 (0.62) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2167644 | 0.95 | ADORA3 (0.62) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2167641 | 0.95 | ADORA3 (0.62) | ADORA3ADORA2AADORA1ADORA2B | |
| Fumaric Acid SCHEMBL2709272 | 0.94 | ADORA3 (0.61) | ADORA3ADORA2AADORA1ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007059949-A1 | TWO NOVEL SALTS OF THE N, N' -BIS [9- (3,4-DIHYDROXY-5- (2-ETHYL-2H-TETRAZOL-5-YL) TETRAHYDROFURAN-2-YL) -2- (2- (1-METHYL-1H-IMIDAZOL-4-YL) ETHYLAMINO) -9H-PURIN-6-YL] CYCLOHEXYL-1,4-DIAMINE ADENOSINE A2A AGONIST AS ANTI-INFLAMMATORY AGENTS | GLAXO GROUP LIMITED (GB) | 2007-05-31 | — | — | WO | disclosed |