Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939538 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4014807 | 0.76 | HRH3 (0.40) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL16881226 | 0.76 | CYP2C9 (0.41) | — | |
| SCHEMBL611691 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL611690 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL16880537 | 0.73 | CFB (0.43) | — | |
| Alcohol SCHEMBL2519662 | 0.71 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL7100957 | 0.70 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL7098390 | 0.70 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| Cyanide SCHEMBL27758187 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 |
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-2137162-A1 | ORGANIC COMPOUNDS AND THEIR USES | Novartis Ag (CH) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008110611-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2008-09-18 | — | — | WO | disclosed |