Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL836600 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL13247924 | 0.85 | CYP1A2 (0.58) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL3115778 | 0.82 | CYP1A2 (0.52) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL835124 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL836842 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL16076197 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL836990 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL6112635 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL3108479 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C19RECQLADORA2BADORA2A | |
| SCHEMBL16027932 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C19RECQLADORA2BADORA2A |
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-1912992-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SmithKline Beecham Corporation (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007017262-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |