Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5026235 | 0.87 | BRD4 (0.41) | BRD4ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5017845 | 0.85 | GBA1 (0.42) | BRD4ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5016142 | 0.84 | ADORA2A (0.39) | BRD4ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5016202 | 0.83 | NR1H4 (0.43) | BRD4ADORA2AADORA1CXCR4GBA1 | |
| SCHEMBL5016105 | 0.80 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5022327 | 0.80 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL6038219 | 0.80 | ADORA2A (0.67) | BRD4ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5016218 | 0.80 | ADORA2A (0.67) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5016164 | 0.79 | KDM4E (0.45) | ADORA2AADORA1KDM6BGBA1 | |
| SCHEMBL27661589 | 0.79 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2B |
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 |