Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 9/20 | 0.71 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.71 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.71 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.71 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.66 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.62 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.62 |
| ▸ | CFTR | P13569 | 1/20 | 0.60 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29839274 | 0.92 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL8385233 | 0.90 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7803025 | 0.90 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL29052513 | 0.90 | PDE4A (0.73) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL31213692 | 0.86 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL27651935 | 0.86 | PDE4A (0.67) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9199281 | 0.86 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7276490 | 0.86 | PDE4A (0.78) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL16058829 | 0.85 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL29528626 | 0.85 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57099598-A | — | — | None | — | — | JP | disclosed |
| WO-2013013052-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| JP-S5799598-A | HAPTEN ANTIGEN AND ITS SYNTHETIC INTERMEDIATE | CHUGAI PHARMACEUT CO LTD | 1982-06-21 | — | — | JP | disclosed |