Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31668890 | 0.77 | ADORA2A (0.55) | ADORA2BSIRT1SIRT3SIRT5ADORA2A | |
| SCHEMBL11029795 | 0.75 | ADORA2B (0.46) | ADORA2BADORA1ADORA2APDE4APDE4B | |
| SCHEMBL3120638 | 0.71 | ADORA2B (0.49) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL3114983 | 0.71 | ADORA1 (0.53) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL3119443 | 0.70 | SIRT1 (0.54) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL3117132 | 0.70 | ADORA2B (0.51) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL5405416 | 0.70 | ADORA2A (0.54) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL7918903 | 0.70 | ADORA1 (0.57) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL7022635 | 0.70 | SIRT1 (0.56) | ADORA2BADORA1SIRT1SIRT3SIRT5 | |
| SCHEMBL13247926 | 0.69 | ADORA2B (0.53) | ADORA2BADORA1SIRT1SIRT3SIRT5 |
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-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | claimed |