Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
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 SCHEMBL29130231 | 0.93 | CA12 (0.48) | CA12CA2CA3CA6CA9 | |
| Tetrabuthylammonium SCHEMBL1836140 | 0.85 | KCNH2 (0.49) | CA12CA2CA9TSHRHSD17B10 | |
| Tetrabuthylammonium SCHEMBL1836143 | 0.84 | MGLL (0.44) | CA12CA2CA9TSHRHSD17B10 | |
| Tetrabuthylammonium SCHEMBL29130236 | 0.83 | TSHR (0.50) | CA12CA2CA6CA9CA14 | |
| Tetrabuthylammonium SCHEMBL29130238 | 0.80 | ESR1 (0.47) | CA2TSHRHSD17B10KCNH2HSD17B3 | |
| Tetrabuthylammonium SCHEMBL6750374 | 0.80 | LMNA (0.47) | TSHRHSD17B10NR5A1KCNH2HSD17B3 | |
| 4-Cyanophenol SCHEMBL28637665 | 0.79 | CA12 (0.70) | CA12CA2CA3CA6CA9 | |
| Tetrabuthylammonium SCHEMBL10659920 | 0.78 | CA1 (0.64) | CA2TSHRHSD17B10MGLLSLC6A3 | |
| Tetrabuthylammonium SCHEMBL29130225 | 0.78 | LMNA (0.48) | HSD17B10HSD17B3ESR1ADRA2AADORA3 | |
| Tetrabuthylammonium SCHEMBL29130294 | 0.78 | TRPV1 (0.46) | MMP3ESR1PTGS2 |
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-117164505-A | Method for synthesizing organic sulfate by dialkyl sulfate or pyrosulfate | 湖南大学 | 2023-12-05 | — | — | CN | disclosed |