Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Tetramethylammonium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Tetramethylammonium Ion SCHEMBL7944002 | 1.00 | CHRNB2 (0.80) | — | |
| Tetramethylammonium Ion SCHEMBL28511957 | 1.00 | CHRNB2 (0.80) | — | |
| Tetramethylammonium Ion SCHEMBL35736 | 1.00 | — | — | |
| Tetramethylammonium Ion SCHEMBL2438850 | 0.91 | CHRNB2 (0.67) | — | |
| Tetramethylammonium Ion SCHEMBL11859553 | 0.91 | CHRNB2 (0.67) | — | |
| Tetramethylammonium Ion SCHEMBL7943999 | 0.91 | — | — | |
| Tetramethylammonium Ion SCHEMBL6270468 | 0.91 | — | — | |
| Tetramethylammonium Ion SCHEMBL11805073 | 0.91 | — | — | |
| Tetramethylammonium Ion SCHEMBL7736927 | 0.91 | — | — | |
| Tetramethylammonium Ion SCHEMBL9181119 | 0.91 | — | — |
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-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |