Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL699428 | 0.79 | CHRNA7 (0.50) | CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL701677 | 0.78 | CHRNA7 (0.49) | CHRNA7CHRNB2CHRNA4CFTRSLC6A2 | |
| SCHEMBL7553736 | 0.76 | — | — | |
| SCHEMBL7045626 | 0.73 | CHRNA7 (0.50) | CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL7045512 | 0.71 | CHRNA7 (0.48) | CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL7044258 | 0.68 | CHRNA7 (0.57) | CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL699738 | 0.68 | CHRNA7 (0.57) | CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL7043765 | 0.66 | CHRNA7 (0.54) | CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL24715110 | 0.65 | CHRNB4 (0.43) | CYP2D6 | |
| SCHEMBL8459805 | 0.65 | CHRNB4 (0.43) | CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002088114-A2 | HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | TARGACEPT, INC. (US) | 2002-11-07 | — | — | WO | disclosed |
| EP-1225955-A1 | ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001032264-A1 | ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2001-05-10 | — | — | WO | disclosed |