Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2808924 | 1.00 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2808912 | 1.00 | ADORA2A (0.43) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2811349 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL11968426 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2811618 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL11968533 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2805228 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2805219 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2811613 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 | |
| SCHEMBL2805216 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CDK1CDK5 |
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-2044070-B1 | PURINE DERIVATIVES AS A2A AGONISTS | NOVARTIS AG (CH) | 2012-08-22 | — | — | EP | claimed |