Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.51 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7201941 | 0.88 | SIRT1 (0.62) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL11066985 | 0.83 | SIRT1 (0.54) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL9645117 | 0.80 | TSHR (0.45) | ADORA2BADORA2AADORA1ADORA3TSHR | |
| SCHEMBL7424268 | 0.79 | SIRT1 (0.50) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL11066982 | 0.78 | SIRT1 (0.45) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL4623940 | 0.78 | PDE1A (0.55) | SIRT1SIRT3SIRT5ADORA2BADORA2A | |
| SCHEMBL9645635 | 0.77 | ALDH1A1 (0.40) | SIRT1SIRT3SIRT5ADORA2BADORA2A | |
| SCHEMBL3394252 | 0.76 | SIRT1 (0.61) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL3399015 | 0.76 | SIRT1 (0.61) | SIRT1SIRT3SIRT5SIRT2ADORA2B | |
| SCHEMBL11389501 | 0.74 | ADORA1 (0.61) | ADORA2BADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4469698-A | SEDATIVES, TRANQUILIZERS | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1984-09-04 | — | — | US | claimed |