Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.81 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 5/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.46 |
| ▸ | CDK2 | P24941 | 5/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | CDK7 | P50613 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.44 |
| ▸ | CLK2 | P49760 | 2/20 | 0.44 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL591113 | 1.00 | ADORA2A (0.81) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL591555 | 0.98 | ADORA2A (0.84) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL589515 | 0.91 | ADORA2A (0.73) | ADORA2AADORA3ADORA1 | |
| SCHEMBL588981 | 0.91 | ADORA2A (0.78) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL590747 | 0.90 | ADORA2A (1.00) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL589213 | 0.90 | ADORA2A (0.74) | ADORA2AADORA3ADORA1 | |
| SCHEMBL590153 | 0.88 | ADORA2A (0.72) | ADORA2AADORA3ADORA1CDK1CDK2 | |
| SCHEMBL592302 | 0.88 | ADORA2A (0.69) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL592303 | 0.88 | ADORA2A (0.69) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL589834 | 0.86 | ADORA2A (0.77) | ADORA2AADORA3ADORA1 |
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-2012759-B1 | PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2010-03-10 | — | — | EP | disclosed |