Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.71 |
| ▸ | PDE4A | P27815 | 8/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | PDE2A | O00408 | 1/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | PDE6C | P51160 | 1/20 | 0.56 |
| ▸ | PDE1A | P54750 | 1/20 | 0.56 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL28126938 | 0.88 | PDE4A (0.65) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17619900 | 0.86 | CFTR (0.67) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6773562 | 0.85 | PDE4A (0.65) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31070831 | 0.84 | CFTR (0.64) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6773962 | 0.84 | PDE4A (0.64) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL239725 | 0.83 | CFTR (1.00) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27522960 | 0.83 | PDE4A (0.75) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9430480 | 0.81 | CFTR (0.71) | CFTRPDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL10494896 | 0.80 | ATAD2 (0.74) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16058829 | 0.80 | PDE4A (0.77) | CFTRPDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| CN-1032939-A | PROCESS FOR PRODUCING CHAMICAL PHARMACENTICAL | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1989-05-17 | — | — | CN | claimed |