Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 19/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1489722 | 1.00 | ADORA2A (0.64) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489817 | 1.00 | ADORA2A (0.64) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1490099 | 0.86 | ADORA2A (0.62) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1490161 | 0.86 | ADORA2A (0.62) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489983 | 0.86 | ADORA2A (0.62) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489803 | 0.85 | ADORA2A (0.63) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489761 | 0.85 | ADORA2A (0.63) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489889 | 0.84 | ADORA2A (0.67) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489524 | 0.83 | ADORA2A (0.78) | ADORA2AADORA1KCNH2 | |
| SCHEMBL1489930 | 0.81 | ADORA2A (0.62) | ADORA2AADORA1KCNH2 |
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-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | claimed |
| EP-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |