Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22521882 | 0.57 | ADORA2B (0.54) | ADORA2BADORA2A | |
| SCHEMBL21935452 | 0.57 | ADORA2B (0.54) | ADORA2BADORA2AADORA3 | |
| SCHEMBL2169311 | 0.41 | DAO (0.41) | — | |
| SCHEMBL11174049 | 0.39 | IDH1 (0.41) | — | |
| SCHEMBL7606960 | 0.38 | — | — | |
| SCHEMBL21629585 | 0.37 | — | — | |
| SCHEMBL30107638 | 0.35 | — | — | |
| SCHEMBL9062085 | 0.35 | IDH1 (0.44) | — | |
| SCHEMBL16011254 | 0.33 | IDH1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2927963 | 0.33 | IDH1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5446046-A | 1,3-dipropyl-8-(3-oxatricyclo(3,1,2,0(2,4-))oct6(7)-Yl)-xanthine used to treat cadiac arrhythmias | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 1995-08-29 | — | — | US | disclosed |