Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PREP | P48147 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1697136 | 0.82 | ADORA2B (0.47) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL5685834 | 0.72 | ADORA2B (0.45) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL4639695 | 0.72 | ADORA2B (0.45) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL244428 | 0.65 | ADORA2B (0.74) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL21491519 | 0.63 | GLS (0.38) | DAOADORA1ADORA3GRIN1GRIN2B | |
| SCHEMBL26202009 | 0.62 | CYP3A4 (0.40) | DAOGRIN1GRIN2B | |
| SCHEMBL30744539 | 0.62 | PPARD (0.42) | PREP | |
| SCHEMBL21493002 | 0.62 | PPARD (0.42) | PREP | |
| SCHEMBL25269987 | 0.62 | GRIN1 (0.40) | DAOGRIN1GRIN2B | |
| SCHEMBL2684038 | 0.62 | ADORA2B (0.54) | ADORA2BADORA1ADORA2AADORA3 |
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-1622908-B1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-08-06 | — | — | EP | claimed |