Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.53 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL589460 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL589459 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Trifluoroacetic Acid SCHEMBL3153802 | 0.95 | ADORA2A (0.58) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL589505 | 0.94 | ADORA2A (0.55) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL589506 | 0.94 | ADORA2A (0.55) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL10196118 | 0.91 | ADORA2A (0.60) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL10156344 | 0.91 | ADORA2A (0.60) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| SCHEMBL10155860 | 0.91 | ADORA2A (0.60) | ADORA2AADORA3ADORA1CDK1CDK5 | |
| Trifluoroacetic Acid SCHEMBL591211 | 0.89 | ADORA2A (0.51) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL10156141 | 0.88 | ADORA2A (0.57) | ADORA2AADORA3ADORA1CDK1CDK5 |
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 |