Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.63 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.63 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.63 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | FADS1 | O60427 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 8/20 | 0.46 |
| ▸ | CD38 | P28907 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 4/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL13653497 | 0.87 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5368863 | 0.83 | S1PR2 (0.56) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL18878177 | 0.80 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL12609107 | 0.80 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL4352890 | 0.78 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL22593285 | 0.77 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL2878014 | 0.77 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL236692 | 0.76 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL16500685 | 0.76 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL21567313 | 0.76 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DPDE3B |
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-117126176-A | Thienopyrimidine compound and dopamine D thereof 2 Use of receptor allosteric antagonists | 常州大学 | 2023-11-28 | — | — | CN | disclosed |