Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Tetrahexylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.65 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.55 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.55 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.53 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.53 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.50 |
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.49 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.48 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Tetrahexylammonium SCHEMBL28700729 | 1.00 | GSR (0.65) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Tetrabuthylammonium SCHEMBL242783 | 0.95 | GSR (0.67) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Tetrabuthylammonium SCHEMBL242784 | 0.95 | GSR (0.67) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Lysine SCHEMBL9404153 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Octadecylamine SCHEMBL9458206 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Dodecylamine SCHEMBL9441764 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Hexadecylamine SCHEMBL27769741 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Dodecylamine SCHEMBL9441770 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Octadecylamine SCHEMBL9458208 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 | |
| Hexadecylamine SCHEMBL27769738 | 0.92 | GSR (0.77) | GSRGNAI3GNAO1GNAI1GRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113912802-B | Ionic polyimine network material and preparation method thereof | 四川大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-113912802-A | Ionic type polyimine network material and preparation method thereof | 四川大学 | 2022-01-11 | — | — | CN | disclosed |