Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409488 | 0.93 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| SCHEMBL7411925 | 0.80 | CHRNB4 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1 | |
| SCHEMBL7409053 | 0.79 | IRAK4 (0.39) | CHRNB2CHRNA4CHRNA3CHRNB4IRAK4 | |
| SCHEMBL7415298 | 0.78 | MAP2K1 (0.37) | CHRNA3CHRNB4IRAK4 | |
| SCHEMBL7407282 | 0.75 | CHRNA3 (0.44) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL1238402 | 0.74 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNA3CHRNB4IRAK4 | |
| Hydrochloric Acid SCHEMBL1238398 | 0.74 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNA3CHRNB4IRAK4 | |
| SCHEMBL4108865 | 0.74 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7412369 | 0.72 | CHRNB4 (0.45) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL8465383 | 0.72 | POLB (0.45) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |