Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 16/20 | 0.54 |
| ▸ | PDE5A | O76074 | 3/20 | 0.49 |
| ▸ | PDE2A | O00408 | 2/20 | 0.49 |
| ▸ | PDE8A | O60658 | 2/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.49 |
| ▸ | PDE11A | Q9HCR9 | 2/20 | 0.49 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL4919936 | 0.81 | PDE1A (0.56) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL8248711 | 0.79 | PDE4A (0.78) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL21144927 | 0.79 | PDE4A (0.51) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL18745355 | 0.78 | PDE4A (0.41) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL20661654 | 0.77 | PDE4A (0.41) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL18745385 | 0.75 | PDE4A (0.73) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL4919006 | 0.75 | PDE4A (0.73) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL4924402 | 0.71 | PDE4A (0.72) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL18380624 | 0.70 | PDE4A (0.72) | PDE4APDE5APDE2APDE8APDE3B | |
| SCHEMBL22096333 | 0.69 | PDE4A (0.50) | PDE4APDE5APDE2APDE8APDE3B |
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-9624230-B2 | Organic compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2017-04-18 | — | — | US | disclosed |