Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 13/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL242571 | 1.00 | ADORA3 (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL1412191 | 1.00 | ADORA3 (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL4218358 | 1.00 | ADORA3 (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL4554415 | 0.94 | ADORA2A (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL242572 | 0.94 | ADORA2A (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL4218360 | 0.94 | ADORA2A (0.53) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| Trifluoroacetic Acid SCHEMBL4554413 | 0.88 | ADORA2A (0.56) | ADORA3ADORA2AADORA1ADORA2B | |
| Trifluoroacetic Acid SCHEMBL4218355 | 0.88 | ADORA2A (0.56) | ADORA3ADORA2AADORA1ADORA2B | |
| Trifluoroacetic Acid SCHEMBL242570 | 0.88 | ADORA2A (0.56) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2888630 | 0.84 | ADORA3 (0.58) | ADORA3ADORA2AADORA1ADORA2B |
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-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |