Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.52 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PPARD | Q03181 | 6/20 | 0.48 |
| ▸ | PPARA | Q07869 | 6/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
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 SCHEMBL27528162 | 0.97 | SLC22A1 (0.63) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL28393823 | 0.87 | SLC22A1 (0.63) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL109268 | 0.87 | SLC22A1 (0.71) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL29047726 | 0.87 | SLC22A1 (0.71) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL105308 | 0.85 | SLC22A1 (0.60) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL108933 | 0.85 | AKR1B1 (0.64) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL6356120 | 0.84 | SLC22A1 (0.67) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL29241995 | 0.84 | SLC22A1 (0.67) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL16343544 | 0.84 | SLC22A1 (0.67) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 | |
| Tetrabuthylammonium SCHEMBL21372576 | 0.84 | SLC22A1 (0.67) | SLC22A1TSHRALDH1A1ALOX15HSD17B10 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111154549-B | Method for extracting rose essential oil from rose waste residues after extracting essential oil | 河北科技大学 | 2023-09-01 | — | — | CN | claimed |
| CN-108816196-B | High-selectivity compound desulfurizer and preparation method thereof | 淄博凯美可工贸有限公司 | 2021-05-14 | — | — | CN | claimed |
| CN-111154549-A | Method for extracting rose essential oil from rose waste residue after extraction of essential oil | 河北科技大学 | 2020-05-15 | — | — | CN | claimed |
| CN-108816196-A | Highly selective Compositional type reclaiming agent and preparation method thereof | 淄博凯美可工贸有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-111154549-B | Method for extracting rose essential oil from rose waste residues after extracting essential oil | 河北科技大学 | 2023-09-01 | — | — | CN | disclosed |
| CN-113877366-B | Composite absorbent and method for selectively removing hydrogen sulfide | 中国石油化工股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-113877366-A | Composite absorbent and method for selectively removing hydrogen sulfide | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-108816196-B | High-selectivity compound desulfurizer and preparation method thereof | 淄博凯美可工贸有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111154549-A | Method for extracting rose essential oil from rose waste residue after extraction of essential oil | 河北科技大学 | 2020-05-15 | — | — | CN | disclosed |
| CN-108816196-A | Highly selective Compositional type reclaiming agent and preparation method thereof | 淄博凯美可工贸有限公司 | 2018-11-16 | — | — | CN | disclosed |