Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29935942 | 0.73 | CYP2A6 (0.53) | APPPIK3CBCYP2A6CHRNA7CACNA1G | |
| SCHEMBL6952609 | 0.73 | CYP2A6 (0.53) | APPPIK3CBCYP2A6CHRNA7CACNA1G | |
| SCHEMBL3716346 | 0.73 | APP (0.40) | APPPIK3CBCYP2A6CHRNA7CACNA1G | |
| SCHEMBL17173829 | 0.69 | HDAC1 (0.50) | — | |
| SCHEMBL15218207 | 0.68 | APP (0.41) | APPPIK3CBCHRNA7CACNA1GCACNA1H | |
| SCHEMBL12896058 | 0.68 | PIK3CB (0.39) | APPPIK3CBCHRNA7CHRNB2CHRNA4 | |
| SCHEMBL25150552 | 0.67 | APP (0.38) | APPPIK3CBCHRNA7CACNA1GCACNA1H | |
| SCHEMBL17173420 | 0.67 | KDM4E (0.43) | APPCHRNA7CACNA1GCACNA1HCACNA1I | |
| Cyanide SCHEMBL22130245 | 0.67 | APP (0.36) | APPPIK3CBCYP2A6CHRNA7CACNA1G | |
| SCHEMBL25469510 | 0.67 | GPBAR1 (0.36) | APPPIK3CBCHRNA7CACNA1GCACNA1H |
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-1814852-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053082-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |