Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.62 |
| ▸ | 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 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL239193 | 1.00 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL239194 | 1.00 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL1402143 | 1.00 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| SCHEMBL13879042 | 1.00 | ADORA2A (0.62) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Hydrochloric Acid SCHEMBL2930221 | 0.99 | ADORA2A (0.61) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Hydrochloric Acid SCHEMBL1412246 | 0.99 | ADORA2A (0.61) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Hydrochloric Acid SCHEMBL2930224 | 0.99 | ADORA2A (0.61) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Hydrochloric Acid SCHEMBL1412250 | 0.99 | ADORA2A (0.61) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Trifluoroacetic Acid SCHEMBL2887186 | 0.96 | ADORA2A (0.58) | ADORA2AADORA3CCNE2CCNA2CCNE1 | |
| Hydrochloric Acid SCHEMBL1402112 | 0.95 | ADORA2A (0.62) | ADORA2AADORA3ADORA2BADORA1 |
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-2292619-A1 | Purine derivatives for use as adenonsin A-2A receptor agonists | Novartis AG (CH) | 2011-03-09 | — | — | EP | disclosed |