Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.68 |
| ▸ | BLM | P54132 | 2/20 | 0.68 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | PDE4A | P27815 | 4/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL44805 | 0.81 | ADORA2B (1.00) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316760 | 0.79 | ADORA2B (1.00) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL4668583 | 0.77 | ADORA2B (0.64) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL9120454 | 0.74 | ADORA2B (0.57) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316930 | 0.73 | ADORA2B (0.62) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL4651994 | 0.70 | ADORA2A (0.88) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316911 | 0.70 | PDE4A (1.00) | ADORA2BBLMPDE4AADORA2APDE4B | |
| SCHEMBL22342560 | 0.69 | ADORA2B (0.77) | ADORA2BBLMGLAPDE4AADORA2A | |
| Fluoride SCHEMBL30358487 | 0.69 | ADORA2A (0.85) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL315866 | 0.69 | PDE4A (0.64) | ADORA2BBLMPDE4AADORA2APDE4B |
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-2097415-B1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | UNIV BONN (DE) | 2014-10-29 | — | — | EP | disclosed |