Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | PDE4A | P27815 | 3/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.44 |
| ▸ | PNP | P00491 | 2/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | USP1 | O94782 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7035609 | 0.79 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| 1-Methylxanthine SCHEMBL7270651 | 0.68 | ADORA2B (0.77) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL31060278 | 0.67 | ADORA2B (1.00) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7972790 | 0.65 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL2842234 | 0.65 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL5970228 | 0.65 | ADORA2B (0.45) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL6555067 | 0.64 | ADORA2B (0.57) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL9432920 | 0.64 | ADORA2A (0.49) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7170414 | 0.63 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL10818065 | 0.63 | ADORA2B (0.70) | ADORA2BADORA3ADORA2APDE4APDE4B |
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-0764647-A1 | Substituted xanthins | BAYER AG (DE) | 1997-03-26 | — | — | EP | disclosed |