Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 18/20 | 0.71 |
| ▸ | CHRNA4 | P43681 | 18/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.48 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1769213 | 0.99 | CHRNB2 (0.74) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL15727076 | 0.99 | CHRNB2 (0.74) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL1769289 | 0.89 | CHRNB2 (0.60) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL18092154 | 0.84 | CHRNB2 (0.97) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL18092152 | 0.84 | CHRNB2 (0.70) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL15727073 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL14776345 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL14776810 | 0.82 | CHRNB2 (0.62) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| SCHEMBL14776454 | 0.77 | CHRNB2 (0.97) | CHRNB2CHRNA4CYP2D6CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL15727080 | 0.76 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513085-B1 | BICYCLIC COMPOUNDS AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | SUVEN LIFE SCIENCES LTD (IN) | 2016-09-28 | — | — | EP | claimed |