Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nicotine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 4/20 | 0.94 |
| ▸ | CHRNA4 known ✓ | P43681 | 4/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.94 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.94 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.94 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.94 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.94 |
| ▸ | LMNA | P02545 | 1/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.94 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.94 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.94 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.94 |
| ▸ | HTR3B | O95264 | 1/20 | 0.94 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.94 |
| ▸ | CHRNG | P07510 | 1/20 | 0.94 |
| ▸ | MAPT | P10636 | 1/20 | 0.94 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.94 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.94 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.94 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.94 |
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 | |
|---|---|---|---|---|
| (+/-)Nicotine SCHEMBL28285655 | 1.00 | ALDH1A1 (0.94) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL28107240 | 1.00 | ALDH1A1 (0.94) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL15561442 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL4615066 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL29527056 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL29352733 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL15561440 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL8897508 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL4615064 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL28090760 | 0.98 | ALDH1A1 (0.97) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109512014-A | A method of the extraction nicotine from tobacco | 湖南中烟工业有限责任公司 | 2019-03-26 | — | — | CN | disclosed |