Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.76 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.76 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.76 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | POLB | P06746 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL229515 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| SCHEMBL29634380 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| SCHEMBL26181251 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| SCHEMBL26383447 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| SCHEMBL11955257 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| SCHEMBL229516 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| Anabasine SCHEMBL3465120 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| Dl-Anabasine SCHEMBL30835558 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| Anabasine SCHEMBL29634446 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 | |
| Dl-Anabasine SCHEMBL117530 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7CYP2A6MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080017208-A1 | Novel tobacco substitute | TERUEL ELBERTO BERDUT | 2008-01-24 | — | — | US | disclosed |
| WO-2008010863-A2 | NOVEL TOBACCO SUBSTITUTE | BERDUT TERUEL ELBERTO (US) | 2008-01-24 | — | — | WO | disclosed |