Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 4/20 | 0.53 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.52 |
| ▸ | CHRNG | P07510 | 3/20 | 0.52 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.52 |
| ▸ | CHRND | Q07001 | 3/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1556831 | 0.95 | CHRNB2 (0.60) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL6231833 | 0.90 | CHRNB2 (0.46) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL1556501 | 0.89 | CYP2D6 (0.52) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL22941342 | 0.87 | CHRNB2 (0.63) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL484413 | 0.87 | CHRNB2 (0.59) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL13050533 | 0.81 | CHRNB2 (0.67) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL30663951 | 0.80 | TSHR (0.65) | CHRNB2CHRNA4ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL30663955 | 0.80 | CHRNB2 (0.59) | CHRNB2CHRNA4CYP2D6USP2CHRNA1 | |
| SCHEMBL2834740 | 0.78 | CYP3A4 (0.68) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL1426810 | 0.78 | CYP2D6 (0.82) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4749715-B2 | — | — | 2011-08-17 | — | — | JP | claimed |
| EP-1519939-A2 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | Targacept, Inc. (US) | 2005-04-06 | — | — | EP | claimed |
| WO-2004005293-A2 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2004-01-15 | — | — | WO | claimed |