Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL291674 | 1.00 | ADORA2A (0.53) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Trifluoroacetic Acid SCHEMBL242252 | 0.96 | ADORA2A (0.49) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL1401995 | 0.93 | ADORA2A (0.60) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL1401992 | 0.93 | ADORA2A (0.60) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL241298 | 0.91 | ADORA2A (0.51) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL241299 | 0.91 | ADORA2A (0.51) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL292922 | 0.91 | ADORA2A (0.54) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL292923 | 0.91 | ADORA2A (0.54) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL4371064 | 0.91 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL1402035 | 0.91 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 |
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 2 patents. 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 |
| EP-2322525-A1 | Purine derivatives for use as adenosin A2A receptor agonists | Novartis AG (CH) | 2011-05-18 | — | — | EP | disclosed |