Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Tetrabuthylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 6/20 | 0.65 |
| ▸ | ALPI | P09923 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.65 |
| ▸ | XIAP | P98170 | 1/20 | 0.65 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL28215335 | 1.00 | SLC7A5 (0.65) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetrabuthylammonium SCHEMBL1836121 | 0.98 | SLC7A5 (0.67) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetrabuthylammonium SCHEMBL1836124 | 0.98 | SLC7A5 (0.67) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetradecane SCHEMBL21002171 | 0.89 | SLC7A5 (0.76) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetrabuthylammonium SCHEMBL15610028 | 0.87 | SLC7A5 (0.69) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetrabuthylammonium SCHEMBL15610029 | 0.87 | SLC7A5 (0.69) | SLC7A5ALPIPKMPTGS1XIAP | |
| Tetrabuthylammonium SCHEMBL1836122 | 0.87 | ALPI (0.50) | SLC7A5ALPIPKMPTGS1XIAP | |
| Dl-Phenylalanine SCHEMBL27802522 | 0.85 | SLC7A5 (0.69) | SLC7A5ALPIPKMPTGS1XIAP | |
| Myristyl Alcohol SCHEMBL28460476 | 0.84 | SLC7A5 (0.67) | SLC7A5ALPIPKMPTGS1XIAP | |
| Myristyl Alcohol SCHEMBL28460475 | 0.84 | SLC7A5 (0.67) | SLC7A5ALPIPKMPTGS1XIAP |
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-106858709-B | The preparation method and applications of the amino acid ion liquid of selectivity reducing cigarette crotonaldehyde in mainstream smoke | 中国烟草总公司郑州烟草研究院 | 2018-04-17 | — | — | CN | disclosed |