Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 0.47 |
| ▸ | PDE1A | P54750 | 2/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23082961 | 0.85 | PDE4A (0.57) | PDE4APDE1APDE1B | |
| SCHEMBL23082965 | 0.82 | PDE4A (0.63) | PDE4APDE1APDE1B | |
| SCHEMBL23082923 | 0.74 | PDE4A (0.64) | PDE4APDE1APDE1B | |
| SCHEMBL23083075 | 0.73 | PDE4A (0.55) | PDE4APDE1APDE1B | |
| SCHEMBL2476990 | 0.72 | PDE1A (0.64) | PDE4APDE1APDE1B | |
| SCHEMBL18927928 | 0.72 | PDE1A (0.64) | PDE4APDE1APDE1B | |
| SCHEMBL26179195 | 0.68 | PDE1A (0.47) | PDE4APDE1APDE1B | |
| SCHEMBL17508441 | 0.67 | PDE1A (0.79) | PDE4APDE1APDE1B | |
| SCHEMBL2511191 | 0.67 | PDE4A (0.60) | PDE4APDE1APDE1B | |
| SCHEMBL14243423 | 0.65 | PDE4A (0.85) | PDE4APDE1APDE1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021046179-A1 | NOVEL COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-03-11 | — | — | WO | disclosed |