Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.78 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL2113158 | 1.00 | ADORA2A (0.78) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL6939161 | 0.90 | ADORA2A (0.85) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL7762507 | 0.90 | ADORA2A (0.85) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL5733877 | 0.89 | ADORA2A (0.81) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL5733892 | 0.89 | ADORA2A (0.81) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL18677240 | 0.88 | ADORA2A (0.80) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL18674322 | 0.88 | ADORA2A (0.80) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL5735375 | 0.88 | ADORA2A (0.73) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL5734994 | 0.88 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL5735705 | 0.88 | ADORA2A (0.79) | ADORA2AADORA2BADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8188063-B2 | A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-29 | — | — | US | disclosed |