Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091171 | 1.00 | ADORA2A (0.31) | ADORA2AHRH4HRH3CNR2CDK1 | |
| SCHEMBL1402056 | 0.91 | ADORA2A (0.38) | ADORA2ACDK1CDK5 | |
| SCHEMBL1402089 | 0.91 | ADORA2A (0.36) | ADORA2A | |
| SCHEMBL1402138 | 0.90 | CDK1 (0.33) | ADORA2AHRH4HRH3CNR2CDK1 | |
| SCHEMBL241436 | 0.89 | ADORA2A (0.41) | ADORA2A | |
| SCHEMBL4123170 | 0.89 | ADORA2A (0.33) | ADORA2ACDK1CDK5 | |
| SCHEMBL4119749 | 0.89 | ADORA3 (0.34) | ADORA2A | |
| SCHEMBL4121510 | 0.88 | ADORA2A (0.37) | ADORA2A | |
| SCHEMBL1402067 | 0.88 | ADORA2A (0.38) | ADORA2ACDK1CDK5 | |
| SCHEMBL4125460 | 0.88 | CDK1 (0.32) | ADORA2ACDK1CDK5 |
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-2292619-A1 | Purine derivatives for use as adenonsin A-2A receptor agonists | Novartis AG (CH) | 2011-03-09 | — | — | EP | disclosed |