Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 3/20 | 0.66 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.66 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.66 |
| ▸ | PDE2A | O00408 | 2/20 | 0.66 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9122677 | 0.89 | ADORA2B (0.55) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL11069719 | 0.89 | PDE2A (0.54) | PDE1APDE1BPDE1CPDE2AADORA2B | |
| SCHEMBL2917587 | 0.88 | PDE1A (0.78) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL10856290 | 0.84 | ADORA2B (0.61) | SIRT1SIRT3SIRT5ADORA2BADORA2A | |
| SCHEMBL4953015 | 0.82 | ADORA2B (0.52) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL10855561 | 0.82 | PDE2A (0.73) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL4623475 | 0.81 | PDE1A (0.71) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL897036 | 0.80 | PDE1A (1.00) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL10855008 | 0.79 | ADORA2A (0.49) | PDE1APDE1BPDE1CPDE2ASIRT1 | |
| SCHEMBL9430688 | 0.79 | PDE1A (0.68) | PDE1APDE1BPDE1CPDE2ASIRT1 |
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 7 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 |
| 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 |