Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL241865 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| SCHEMBL293743 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| SCHEMBL292236 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| SCHEMBL241866 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| Hydrochloric Acid SCHEMBL243005 | 0.99 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| Hydrochloric Acid SCHEMBL243004 | 0.99 | ADORA2A (0.46) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| SCHEMBL241596 | 0.93 | ADORA2A (0.46) | ADORA2AADORA3ADORA1 | |
| SCHEMBL241595 | 0.93 | ADORA2A (0.46) | ADORA2AADORA3ADORA1 | |
| SCHEMBL239655 | 0.92 | ADORA2A (0.49) | ADORA2AADORA3CDK1CDK5ADORA1 | |
| SCHEMBL244185 | 0.92 | ADORA2A (0.49) | ADORA2AADORA3CDK1CDK5ADORA1 |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |