Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565875 | 0.82 | CHRNA7 (0.58) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL17713225 | 0.79 | CHRNA7 (0.55) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL7552891 | 0.79 | CYP2A6 (0.61) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL493020 | 0.77 | CYP1A2 (0.56) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| Hydrochloric Acid SCHEMBL27794086 | 0.75 | CYP1A2 (0.54) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL10263928 | 0.75 | TDP1 (0.53) | CHRNA7CHRNB2CHRNA4CHRM2CHRM1 | |
| SCHEMBL29469530 | 0.75 | HSD11B1 (0.47) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL8200733 | 0.75 | CHRNB2 (0.47) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL149174 | 0.75 | HSD11B1 (0.47) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 | |
| SCHEMBL146442 | 0.75 | HSD11B1 (0.47) | CHRNA7CYP2A6CHRNB2CHRNA4CHRM2 |
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 |