Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.54 |
| ▸ | PDE1A | P54750 | 2/20 | 0.54 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.54 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10857602 | 0.89 | PDE1A (0.66) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL9122677 | 0.88 | ADORA2B (0.55) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL10856290 | 0.86 | ADORA2B (0.61) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL4953015 | 0.84 | ADORA2B (0.52) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL10855008 | 0.80 | ADORA2A (0.49) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL2917587 | 0.76 | PDE1A (0.78) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL9429916 | 0.74 | PDE2A (0.53) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL4621727 | 0.73 | PDE2A (0.51) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL10855561 | 0.73 | PDE2A (0.73) | PDE2APDE1APDE1BPDE1CADORA2B | |
| SCHEMBL1063544 | 0.72 | SIRT1 (0.68) | ADORA2BADORA2AADORA3ADORA1 |
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 1 patent. 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 |