Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.51 |
| ▸ | SIRT5 | Q9NXA8 | 3/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903998 | 0.80 | SIRT1 (0.60) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL2546553 | 0.79 | ADORA2B (0.47) | ADORA2BADORA2AADORA3 | |
| SCHEMBL4781818 | 0.72 | ADORA1 (0.42) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL11066305 | 0.72 | SIRT1 (0.54) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL3180705 | 0.72 | SIRT1 (0.52) | SIRT1SIRT3SIRT5ADORA2BADORA1 | |
| SCHEMBL2547498 | 0.71 | ADORA2B (0.47) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL11072524 | 0.70 | SIRT1 (0.55) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL5400398 | 0.70 | SIRT1 (0.67) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL11066985 | 0.69 | SIRT1 (0.54) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL3179805 | 0.69 | SIRT1 (0.54) | SIRT1SIRT3SIRT5SIRT2ADORA2B |
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-1939197-A1 | 8-ethinylxanthine derivatives as selective A2A receptor antagonists | SCHWARZ PHARMA AG (DE) | 2008-07-02 | — | — | EP | disclosed |