Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | NT5E | P21589 | 5/20 | 0.37 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1412120 | 0.81 | ADORA2A (0.33) | ADORA1ADORA3ADORA2A | |
| SCHEMBL1412466 | 0.77 | ADORA1 (0.61) | ADORA1ADORA3ADORA2A | |
| SCHEMBL3891540 | 0.77 | NT5E (0.38) | ADORA1ADORA3ADORA2ANT5ETMIGD3 | |
| SCHEMBL1412222 | 0.75 | ADORA2A (0.55) | ADORA1ADORA3ADORA2ANT5E | |
| Acetic Acid SCHEMBL6838891 | 0.69 | NT5E (0.43) | ADORA1ADORA3ADORA2ANT5E | |
| SCHEMBL6838896 | 0.67 | NT5E (0.41) | ADORA1ADORA3ADORA2ANT5E | |
| SCHEMBL4374282 | 0.66 | ADORA2A (0.42) | ADORA3ADORA2A | |
| SCHEMBL1412158 | 0.66 | ADORA2A (0.54) | ADORA1ADORA3ADORA2A | |
| SCHEMBL1412256 | 0.64 | ADORA2A (0.48) | ADORA1ADORA3ADORA2A | |
| SCHEMBL17150935 | 0.64 | NT5E (0.41) | ADORA1ADORA3ADORA2ANT5ETMIGD3 |
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-2018388-A2 | BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007121924-A2 | BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |