Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.61 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.61 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL10859893 | 1.00 | SIRT1 (0.61) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL7918903 | 0.97 | ADORA1 (0.57) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL1063544 | 0.94 | SIRT1 (0.68) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL11072524 | 0.91 | SIRT1 (0.55) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL9430619 | 0.90 | ADORA2A (0.61) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL9430131 | 0.89 | ADORA2A (0.56) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL9430769 | 0.88 | ADORA2A (0.55) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL11066305 | 0.87 | SIRT1 (0.54) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL10855008 | 0.87 | ADORA2A (0.49) | SIRT1SIRT3SIRT5ADORA1PDE4A | |
| SCHEMBL4953015 | 0.85 | ADORA2B (0.52) | SIRT1SIRT3SIRT5ADORA1PDE4A |
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 5 patents. 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 |
| US-4581451-A | ALKYLATION AND CYCLIZATION OF A URACIL COMPOUND | NESTEC S.A. (CH) | 1986-04-08 | — | — | US | disclosed |
| EP-0039780-B1 | DI- OR TRISUBSTITUTED XANTHINES WITH NEUROLEPTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1985-04-10 | — | — | EP | disclosed |
| US-4469698-A | SEDATIVES, TRANQUILIZERS | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1984-09-04 | — | — | US | disclosed |
| EP-0039780-A1 | Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1981-11-18 | — | — | EP | disclosed |