Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10855008 | 0.96 | ADORA2A (0.49) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10856290 | 0.92 | ADORA2B (0.61) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL9122677 | 0.89 | ADORA2B (0.55) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7918903 | 0.88 | ADORA1 (0.57) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11072744 | 0.86 | ADORA2B (0.51) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10856971 | 0.85 | SIRT1 (0.61) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10859893 | 0.85 | SIRT1 (0.61) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11072524 | 0.85 | SIRT1 (0.55) | ADORA2BADORA2AADORA1ADORA3PDE2A | |
| SCHEMBL11069719 | 0.84 | PDE2A (0.54) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10857602 | 0.82 | PDE1A (0.66) | ADORA2BADORA2APDE4APDE4BPDE4C |
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-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 |
| EP-1896619-A2 | TARGETS FOR INHIBITING HCV REPLICATION | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007001928-A2 | TARGETS FOR INHIBITING HCV REPLICATION | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| 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 |