Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 9/20 | 0.68 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.68 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.68 |
| ▸ | CFTR | P13569 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | ALPL | P05186 | 1/20 | 0.57 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.55 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19370614 | 0.89 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL29528626 | 0.87 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL17609557 | 0.87 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| Water SCHEMBL27884201 | 0.86 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL30617922 | 0.85 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL30617921 | 0.85 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL28325555 | 0.85 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL29081048 | 0.84 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| SCHEMBL27522960 | 0.82 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DADORA2B | |
| Acetic Acid SCHEMBL27904190 | 0.82 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2B |
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-106715430-B | inhibition of transient receptor potential A1 ion channels | 伊莱利利公司 | 2019-09-17 | — | — | CN | disclosed |