Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 5/20 | 0.53 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.53 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.53 |
| ▸ | PIM1 | P11309 | 3/20 | 0.53 |
| ▸ | PRKACA | P17612 | 3/20 | 0.53 |
| ▸ | CLK2 | P49760 | 3/20 | 0.53 |
| ▸ | PRKX | P51817 | 3/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.53 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.53 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.53 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.53 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.43 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7241310 | 0.83 | CHRNB2 (0.45) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL23461674 | 0.81 | CHRNB2 (0.48) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL29996980 | 0.81 | CHRNB2 (0.48) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL7103830 | 0.79 | CHRNB2 (0.50) | ROCK2MAP4K4PIM1PRKACACLK4 | |
| SCHEMBL7098510 | 0.78 | CHRNB2 (0.60) | AKT1DYRK3ROCK2PRKD3MAP4K4 | |
| SCHEMBL744752 | 0.77 | CYP1A1 (0.61) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL10781062 | 0.76 | CYP11B1 (0.58) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL183079 | 0.76 | ALDH1A1 (0.37) | AKT1DYRK3ROCK2PRKD3MAP4K4 | |
| SCHEMBL16718937 | 0.76 | MAPK1 (0.59) | NOS3NOS1NOS2MAPK1 | |
| SCHEMBL7522249 | 0.75 | AKT1 (0.50) | AKT1DYRK3ROCK2PRKD3MAP4K4 |
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-1185513-A2 | ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-03-13 | — | — | EP | disclosed |
| WO-2000071520-A2 | ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2000-11-30 | — | — | WO | disclosed |