Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.57 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3058265 | 0.82 | CHRNB2 (0.59) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL22398085 | 0.80 | MAPK1 (0.54) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3044684 | 0.80 | CHRNB2 (0.70) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7878909 | 0.80 | CHRNA7 (0.55) | CYP2A6CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13088099 | 0.80 | CHRNB2 (0.56) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL4065112 | 0.79 | CHRNB2 (0.63) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14085349 | 0.79 | CYP2A6 (0.73) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL5376053 | 0.79 | CHRNB2 (0.63) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL14085289 | 0.79 | CHRNB2 (0.69) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3673693 | 0.76 | CHRNB2 (0.69) | CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6 |
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-1940406-A2 | POTASSIUM CHANNEL INHIBITORS | Merck and Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007050348-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |