Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 20/20 | 0.72 |
| ▸ | CHRNA4 | P43681 | 20/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769277 | 0.84 | CHRNB2 (0.69) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL25344779 | 0.73 | NFE2L2 (0.54) | CHRNB2CHRNA4 | |
| SCHEMBL23634063 | 0.72 | NCF1 (0.47) | — | |
| SCHEMBL18092157 | 0.71 | CHRNB2 (0.97) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL1769403 | 0.70 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL15727065 | 0.70 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Ropanicant SCHEMBL18092155 | 0.70 | CHRNB2 (0.97) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL14776454 | 0.69 | CHRNB2 (0.97) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Ropanicant SCHEMBL1769270 | 0.69 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Ropanicant SCHEMBL30722696 | 0.69 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 |
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-2513085-A1 | BICYCLIC COMPOUNDS AS alpha4beta2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | Suven Life Sciences Limited (IN) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011061751-A1 | BICYCLIC COMPOUNDS AS α4β2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUVEN LIFE SCIENCES LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |