Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6038177 | 0.80 | ADORA2A (0.53) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5016159 | 0.70 | ADORA2A (0.56) | ADORA2AADORA1CYP3A4 | |
| SCHEMBL5016158 | 0.69 | ADORA2A (0.70) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5017696 | 0.68 | ADORA2A (0.65) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5017884 | 0.68 | ADORA2A (0.43) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5026261 | 0.67 | ADORA2A (0.50) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5016101 | 0.67 | ADORA2A (0.65) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5017667 | 0.66 | ADORA2A (0.69) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5023115 | 0.66 | ADORA2A (0.52) | ADORA2AADORA1CYP3A4KCNH2 | |
| SCHEMBL5022943 | 0.65 | ADORA2A (0.52) | ADORA2AADORA1CYP3A4KCNH2 |
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-1697351-A1 | 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | WO | disclosed |