Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.55 |
| ▸ | PGK1 | P00558 | 1/20 | 0.49 |
| ▸ | PGK2 | P07205 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL590497 | 0.81 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BADORA1 | |
| Trifluoroacetic Acid SCHEMBL3153589 | 0.79 | ADORA2A (0.54) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL590412 | 0.78 | ADORA2A (0.57) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL3149455 | 0.78 | ADORA2A (0.57) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL590411 | 0.78 | ADORA2A (0.57) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL1402149 | 0.73 | ADORA2A (0.81) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL1402146 | 0.73 | ADORA2A (0.81) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL589500 | 0.73 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL590157 | 0.73 | ADORA2A (0.66) | ADORA2AADORA3ADORA1 | |
| SCHEMBL589918 | 0.71 | ADORA2A (0.57) | ADORA2AADORA3ADORA2BADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2012759-A1 | PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121923-A1 | PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |