Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3080293 | 0.64 | NOS3 (0.47) | ALDH1A1CYP1A2THRBCYP2C19CHRNB4 | |
| SCHEMBL22023761 | 0.58 | CHRNB4 (0.34) | ALDH1A1CYP1A2THRBCYP2C19CHRNB4 | |
| SCHEMBL13114823 | 0.57 | ALDH1A1 (0.60) | ALDH1A1CYP1A2THRBCYP2C19CHRNB4 | |
| SCHEMBL17467069 | 0.57 | CYP2A6 (0.47) | ALDH1A1CYP1A2THRBCYP2C19CHRNB4 | |
| SCHEMBL20117864 | 0.57 | AURKA (0.30) | — | |
| SCHEMBL16801658 | 0.56 | PIK3CD (0.41) | ALDH1A1CYP1A2 | |
| SCHEMBL165812 | 0.55 | CHRNB4 (0.87) | ALDH1A1CYP1A2THRBCYP2C19CHRNB4 | |
| SCHEMBL13555310 | 0.55 | HPGD (0.33) | — | |
| SCHEMBL17734083 | 0.54 | — | — | |
| SCHEMBL4475264 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2487172-A1 | A Process for the Preparation of (R,S)-Nicotine | Divi's Laboratories Limited (IN) | 2012-08-15 | — | — | EP | disclosed |