Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7547853 | 0.77 | CHRM2 (0.52) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL8310756 | 0.77 | CYP1A2 (0.50) | LTA4HCYP1A2HRH3 | |
| Hydrochloric Acid SCHEMBL2978407 | 0.76 | LMNA (0.46) | LTA4HHRH3 | |
| SCHEMBL447549 | 0.76 | SIGMAR1 (0.47) | LTA4HHRH3 | |
| Bromide SCHEMBL28805308 | 0.74 | SIGMAR1 (0.46) | LTA4HHRH3 | |
| SCHEMBL15094370 | 0.74 | TSHR (0.46) | LTA4HHRH3 | |
| SCHEMBL493020 | 0.73 | CYP1A2 (0.56) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 | 0.73 | CHRNB2 (1.00) | CHRNB2CHRNA4LTA4H | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 | 0.73 | CHRNB2 (1.00) | CHRNB2CHRNA4LTA4H | |
| SCHEMBL5792708 | 0.72 | OPRK1 (0.56) | CHRNB2CHRNA4CYP2D6 |
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-1212301-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016107-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2001-03-08 | — | — | WO | disclosed |