Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 16/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1490245 | 0.91 | ADORA2A (0.56) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489988 | 0.89 | ADORA2A (0.53) | ADORA2AADORA1CYP3A4 | |
| SCHEMBL1489712 | 0.88 | ADORA2A (0.53) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489658 | 0.86 | ADORA2A (0.57) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1490173 | 0.86 | ADORA2A (0.70) | ADORA2AADORA1 | |
| SCHEMBL1489218 | 0.85 | ADORA2A (0.65) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489853 | 0.84 | ADORA2A (0.53) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489159 | 0.84 | ADORA2A (0.64) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489383 | 0.84 | ADORA2A (0.64) | ADORA2AADORA1ADORA3HPGDCYP3A4 | |
| SCHEMBL1489812 | 0.83 | ADORA2A (0.59) | ADORA2AADORA1ADORA3HPGDCYP3A4 |
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-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | claimed |