Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.35 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817096 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNA4AKT1CHRNB4CHRNA3 | |
| SCHEMBL7568006 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNA4AKT1CHRNB4CHRNA3 | |
| SCHEMBL7568010 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNA4AKT1CHRNB4CHRNA3 | |
| SCHEMBL6816788 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNA4AKT1CHRNB4CHRNA3 | |
| SCHEMBL6816423 | 0.96 | POLB (0.38) | CHRNB2CHRNA4AKT1 | |
| SCHEMBL6813180 | 0.96 | POLB (0.38) | CHRNB2CHRNA4AKT1 | |
| SCHEMBL6813172 | 0.96 | POLB (0.38) | CHRNB2CHRNA4AKT1 | |
| SCHEMBL6820990 | 0.81 | — | — | |
| SCHEMBL6816800 | 0.81 | — | — | |
| SCHEMBL6816792 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004009599-A1 | FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-01-29 | — | — | WO | claimed |
| WO-2004009599-A1 | FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-01-29 | — | — | WO | disclosed |