Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.68 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.68 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL10856971 | 0.94 | SIRT1 (0.61) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL10859893 | 0.94 | SIRT1 (0.61) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL7918903 | 0.90 | ADORA1 (0.57) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL10855561 | 0.90 | PDE2A (0.73) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL9430619 | 0.90 | ADORA2A (0.61) | SIRT1SIRT3SIRT5ADORA1MEN1 | |
| SCHEMBL9430131 | 0.89 | ADORA2A (0.56) | SIRT1SIRT3SIRT5ADORA1MEN1 | |
| SCHEMBL11286152 | 0.88 | PDE2A (0.59) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL11075794 | 0.88 | SIRT1 (0.54) | SIRT1SIRT3SIRT5ADORA1ADORA2A | |
| SCHEMBL9430769 | 0.88 | ADORA2A (0.55) | SIRT1SIRT3SIRT5ADORA1MEN1 | |
| SCHEMBL10856290 | 0.87 | ADORA2B (0.61) | SIRT1SIRT3SIRT5ADORA1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268641-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | Advinus Therapeutics Pvt. Ltd. (IN) | 2011-01-05 | — | — | EP | claimed |
| WO-2009118759-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD., (IN) | 2009-10-01 | — | — | WO | claimed |
| 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 | claimed |
| US-4469698-A | SEDATIVES, TRANQUILIZERS | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1984-09-04 | — | — | US | claimed |
| 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 | 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 |