Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1792844 | 0.84 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4CYP2D6CYP1A2 | |
| SCHEMBL1795195 | 0.77 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4CYP2D6CYP1A2 | |
| SCHEMBL929150 | 0.71 | PAX8 (0.36) | CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL929169 | 0.70 | CHRNA7 (0.67) | CHRNB2CHRNA7CHRNA4CYP1A2CYP11B1 | |
| SCHEMBL1802907 | 0.70 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4CYP2D6CYP1A2 | |
| SCHEMBL1797114 | 0.68 | KCNH2 (0.44) | CHRNB2CHRNA7CHRNA4ALDH1A1SMN1; SMN2 | |
| SCHEMBL1792193 | 0.67 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL6322925 | 0.65 | ALDH1A1 (0.37) | CHRNB2CHRNA7CHRNA4CYP2D6CYP1A2 | |
| SCHEMBL6332378 | 0.64 | ALDH1A1 (0.41) | CHRNB2CHRNA7CHRNA4CYP2D6CYP1A2 | |
| SCHEMBL1794349 | 0.64 | CHRNA7 (0.50) | CHRNA7CYP2D6CYP1A2ALDH1A1ALOX15 |
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-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |