Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2185911 | 1.00 | DGAT1 (0.37) | DGAT1CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL7409382 | 0.81 | CYP2D6 (0.34) | DGAT1 | |
| SCHEMBL7410362 | 0.80 | CYP2D6 (0.32) | CHRNB2 | |
| SCHEMBL3357488 | 0.80 | SLC6A4 (0.44) | DGAT1CYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL7413347 | 0.76 | CHRNB2 (0.45) | CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL7412587 | 0.75 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL2184835 | 0.75 | CHRNB2 (0.33) | CHRNB2CHRNA4 | |
| SCHEMBL7413163 | 0.74 | NPC1 (0.35) | DGAT1CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL2307750 | 0.73 | AKT1 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL31370572 | 0.72 | CYP1A2 (0.42) | CHRNB2CHRNA4CYP1A2CYP3A4CYP2C19 |
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-2342192-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | Psychogenics Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010045212-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INCSTATUTS (US) | 2010-04-22 | — | — | WO | disclosed |