Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | NT5E | P21589 | 4/20 | 0.48 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL242820 | 1.00 | ADORA2A (0.57) | ADORA2AADORA3ADORA1NT5ETMIGD3 | |
| SCHEMBL1401984 | 0.91 | ADORA2A (0.67) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL1412472 | 0.89 | ADORA2A (0.55) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL3118651 | 0.89 | ADORA2A (0.55) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL1412375 | 0.89 | ADORA2A (0.55) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL241285 | 0.89 | ADORA2A (0.58) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL1401973 | 0.89 | ADORA2A (0.69) | ADORA2AADORA3ADORA1NT5E | |
| SCHEMBL241132 | 0.88 | ADORA2A (0.60) | ADORA2AADORA3ADORA1 | |
| SCHEMBL1412152 | 0.88 | ADORA2A (0.70) | ADORA2AADORA3ADORA1 | |
| SCHEMBL1412300 | 0.88 | ADORA2A (0.70) | ADORA2AADORA3ADORA1 |
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-2322525-A1 | Purine derivatives for use as adenosin A2A receptor agonists | Novartis AG (CH) | 2011-05-18 | — | — | EP | disclosed |