Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of 3-Methylpyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL30529819 | 1.00 | CYP2A6 (0.52) | — | |
| 3-Methylpyridine SCHEMBL6514889 | 1.00 | — | — | |
| 3-Methylpyridine SCHEMBL1451326 | 0.97 | CYP2A6 (0.50) | — | |
| 3-Methylpyridine SCHEMBL28392462 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL29361018 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL10530 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL820155 | 0.97 | CYP2A6 (0.54) | — | |
| 3-Methylpyridine SCHEMBL493021 | 0.94 | CYP2A6 (0.52) | — | |
| 3-Methylpyridine SCHEMBL3957265 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL4759127 | 0.94 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170216273-A1 | Nicotine Derivatives and Methods of Use | GOODMAN JORY F (US) | 2017-08-03 | — | — | US | disclosed |
| WO-2015183530-A1 | NICOTINE DERIVATIVES AND METHODS OF USE | GOODMAN JORY F (US) | 2015-12-03 | — | — | WO | disclosed |
| WO-2005066129-A2 | BIS-PYRIDINO CONTAINING COMPOUNDS FOR USE IN THE TREATMENT OF CNS PATHOLOGIES | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2005-07-21 | — | — | WO | disclosed |