Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2757528 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| SCHEMBL242383 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| SCHEMBL301072 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| SCHEMBL13886182 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| SCHEMBL4213653 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| Hydrochloric Acid SCHEMBL242382 | 0.99 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| Hydrochloric Acid SCHEMBL242384 | 0.99 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| SCHEMBL1831645 | 0.95 | ADORA2A (0.45) | ADORA2AADORA3ADORA1 | |
| Hydrochloric Acid SCHEMBL4488897 | 0.94 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 | |
| Hydrochloric Acid SCHEMBL4488903 | 0.94 | ADORA2A (0.48) | ADORA2AADORA3ADORA1EPHX2 |
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 |