Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19628906 | 0.97 | CHRNA7 (0.44) | CHRNA7CHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL7552755 | 0.84 | CHRM2 (0.46) | CHRNA7CHRM2CHRM1CHRM3CYP2A6 | |
| SCHEMBL10202643 | 0.83 | CHRM2 (0.48) | CHRNA7CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL3432313 | 0.81 | CHRM2 (0.46) | CHRNA7CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL30935673 | 0.81 | CHRM2 (0.46) | CHRM2CHRM1CHRM3CYP3A4CYP2D6 | |
| SCHEMBL7552787 | 0.79 | CHRNB2 (0.50) | CHRNA7CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL30082314 | 0.78 | CYP3A4 (0.55) | CHRNA7CYP2A6CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL27962088 | 0.78 | CYP3A4 (0.55) | CHRNA7CYP2A6CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10202705 | 0.78 | CHRM2 (0.44) | CHRNA7CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL493020 | 0.77 | CYP1A2 (0.56) | CHRNA7CHRM2CHRM1CHRM3CYP2A6 |
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 |