Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 18/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 18/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 8/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5371085 | 1.00 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL5373879 | 1.00 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL5375725 | 0.85 | CHRNA4 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5377608 | 0.84 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5376087 | 0.84 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5375862 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL5379584 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5371318 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3ROCK2 | |
| SCHEMBL5375824 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL5371135 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1359152-A2 | Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands | ABBOTT LABORATORIES (US) | 2003-11-05 | — | — | EP | disclosed |