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 | 0.83 |
| ▸ | CHRNA4 known ✓ | P43681 | 4/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.83 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.83 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.83 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.83 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.83 |
| ▸ | LMNA | P02545 | 1/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.83 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.83 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.83 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.83 |
| ▸ | HTR3B | O95264 | 1/20 | 0.83 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.83 |
| ▸ | CHRNG | P07510 | 1/20 | 0.83 |
| ▸ | MAPT | P10636 | 1/20 | 0.83 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.83 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.83 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.83 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.83 |
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 SCHEMBL28179049 | 1.00 | ALDH1A1 (0.83) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL27656555 | 0.95 | ALDH1A1 (0.79) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL27656554 | 0.95 | ALDH1A1 (0.79) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL28900253 | 0.91 | ALDH1A1 (0.94) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL2599622 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL797620 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL10909351 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL4729900 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| (+/-)Nicotine SCHEMBL1724652 | 0.91 | ALDH1A1 (1.00) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| Nicotine SCHEMBL308101 | 0.91 | ALDH1A1 (1.00) | 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140332015-A1 | Molecularly Imprinted Polymers Selective for Nitrosamines and Methods of using the Same | MIP TECHNOLOGIES AB (SE) | 2014-11-13 | — | — | US | claimed |
| EP-1756023-B1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR NITROSAMINES AND METHODS OF USING THE SAME | BRITISH AMERICAN TOBACCO CO (GB) | 2012-04-11 | — | — | EP | claimed |
| US-20070186940-A1 | Molecularly imprinted polymers selective for nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2007-08-16 | — | — | US | claimed |
| CN-1972884-A | Molecularly imprinted polymers selective for nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO CO (GB) | 2007-05-30 | — | — | CN | claimed |
| EP-1756023-A1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR NITROSAMINES AND METHODS OF USING THE SAME | MIP Technologies AB (SE) | 2007-02-28 | — | — | EP | claimed |
| WO-2005112670-A1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR NITROSAMINES AND METHODS OF USING THE SAME | MIP TECHNOLOGIES AB (SE) | 2005-12-01 | — | — | WO | claimed |
| US-9844230-B2 | Molecularly imprinted polymers selective for nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LTD (GB) | 2017-12-19 | — | — | US | disclosed |
| CN-104053483-B | Selective separation of nitroso-containing compounds | 英美烟草(投资)有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-105410986-A | Selective separation of nitroso-containing compounds | BRITISH AMERICAN TOBACCO INVESTMENTS LTD | 2016-03-23 | — | — | CN | disclosed |
| EP-2094119-B1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR TOBACCO SPECIFIC NITROSAMINES AND METHODS OF USING THE SAME | BRITISH AMERICAN TOBACCO CO (GB) | 2016-03-09 | — | — | EP | disclosed |
| US-9265283-B2 | Polymers selective for tobacco specific nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2016-02-23 | — | — | US | disclosed |
| US-9243096-B2 | Polymers selective for nitro-containing compounds and methods of using the same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2016-01-26 | — | — | US | disclosed |
| US-9169341-B2 | Molecularly imprinted polymers selective for tobacco specific nitrosamines and methods of using same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2015-10-27 | — | — | US | disclosed |
| CN-101547617-A | Molecularly imprinted polymers selective for tobacco specific nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO CO (GB) | 2009-09-30 | — | — | CN | disclosed |
| EP-2094119-A2 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR TOBACCO SPECIFIC NITROSAMINES AND METHODS OF USING THE SAME | British American Tobacco (Investments) Limited (GB) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008068153-A2 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR TOBACCO SPECIFIC NITROSAMINES AND METHODS OF USING THE SAME | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2008-06-12 | — | — | WO | disclosed |
| US-20070186940-A1 | Molecularly imprinted polymers selective for nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2007-08-16 | — | — | US | disclosed |
| CN-1972884-A | Molecularly imprinted polymers selective for nitrosamines and methods of using the same | BRITISH AMERICAN TOBACCO CO (GB) | 2007-05-30 | — | — | CN | disclosed |
| EP-1756023-A1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR NITROSAMINES AND METHODS OF USING THE SAME | MIP Technologies AB (SE) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005112670-A1 | MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR NITROSAMINES AND METHODS OF USING THE SAME | MIP TECHNOLOGIES AB (SE) | 2005-12-01 | — | — | WO | disclosed |