Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.53 |
| ▸ | PDE1A | P54750 | 1/20 | 0.53 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.53 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.50 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.50 |
| ▸ | SIRT5 | Q9NXA8 | 4/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL28143495 | 0.84 | SIRT1 (0.67) | PDE2APDE1APDE1BPDE1CSIRT1 | |
| SCHEMBL11286152 | 0.83 | PDE2A (0.59) | PDE2APDE1APDE1BPDE1CSIRT1 | |
| SCHEMBL9430566 | 0.82 | PDE2A (0.56) | PDE2APDE1APDE1BPDE1CSIRT1 | |
| SCHEMBL1063544 | 0.80 | SIRT1 (0.68) | SIRT1SIRT3SIRT5ADORA2BADORA2A | |
| SCHEMBL8128491 | 0.80 | PDE2A (0.54) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL8126108 | 0.80 | PDE2A (0.54) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL8126523 | 0.80 | PDE2A (0.54) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL11072524 | 0.78 | SIRT1 (0.55) | PDE2APDE1APDE1BPDE1CSIRT1 | |
| SCHEMBL7918903 | 0.77 | ADORA1 (0.57) | PDE2APDE1APDE1BPDE1CSIRT1 | |
| SCHEMBL10855561 | 0.77 | PDE2A (0.73) | PDE2APDE1APDE1BPDE1CSIRT1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269841-B1 | 1-HYDROXYALKYL XANTHINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1992-11-11 | — | — | EP | claimed |
| EP-0269841-A1 | 1-Hydroxyalkyl xanthines, processes for their preparation and medicaments containing them | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1988-06-08 | — | — | EP | claimed |
| US-5338741-A | Cardiotonic agents | NESTEC S.A. (CH) | 1994-08-16 | — | — | US | disclosed |
| EP-0269841-B1 | 1-HYDROXYALKYL XANTHINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1992-11-11 | — | — | EP | disclosed |
| US-5053433-A | Photodiesterase inhibitor | SOCIETE ANONYME DITE: L'OREAL (FR) | 1991-10-01 | — | — | US | disclosed |
| EP-0269841-A1 | 1-Hydroxyalkyl xanthines, processes for their preparation and medicaments containing them | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1988-06-08 | — | — | EP | disclosed |