Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 9/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CFTR | P13569 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.45 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27614352 | 0.79 | PDE4A (0.54) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27616612 | 0.77 | ATAD2 (0.66) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16058829 | 0.77 | PDE4A (0.77) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28294581 | 0.76 | ATAD2 (0.84) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28130992 | 0.76 | PDE4A (0.75) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28707357 | 0.76 | PDE4A (0.62) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28330863 | 0.76 | PDE4A (0.59) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31337336 | 0.75 | PDE4A (0.62) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27482339 | 0.75 | PDE4A (0.62) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8952587 | 0.75 | ADORA2B (0.52) | ATAD2PDE4APDE4BPDE4CPDE4D |
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-114716296-A | Efficient halogenation synthesis method of alkyl halide | 北京大学 | 2022-07-08 | — | — | CN | disclosed |