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 | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 8/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
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 SCHEMBL29130242 | 0.92 | HSD17B3 (0.50) | HSD17B3HSD17B1ESR1TSHRLMNA | |
| Tetrabuthylammonium SCHEMBL11739846 | 0.86 | KCNH2 (0.44) | TSHRLMNACYP2D6CYP2C19SMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL11739859 | 0.83 | CA2 (0.43) | LMNASMN1; SMN2ALDH1A1HSD17B10 | |
| Tetrabuthylammonium SCHEMBL29130238 | 0.81 | ESR1 (0.47) | HSD17B3ESR1TSHRLMNACYP1A2 | |
| Tetrabuthylammonium SCHEMBL6750374 | 0.81 | LMNA (0.47) | HSD17B3ESR1TSHRLMNACYP2D6 | |
| Tetrabuthylammonium SCHEMBL29130225 | 0.79 | LMNA (0.48) | HSD17B3ESR1LMNASMN1; SMN2ESR2 | |
| Tetrabuthylammonium SCHEMBL29130294 | 0.79 | TRPV1 (0.46) | ESR1ESR2PTGS2 | |
| Tetrabuthylammonium SCHEMBL29130206 | 0.78 | KIF11 (0.43) | HSD17B3ESR1LMNASMN1; SMN2ESR2 | |
| Tetrabuthylammonium SCHEMBL29130235 | 0.78 | CA12 (0.47) | HSD17B3ESR1TSHRLMNAPTGS2 | |
| 4-Hydroxyacetophenone SCHEMBL27751106 | 0.76 | HSD17B1 (0.71) | HSD17B3HSD17B1ESR1TSHRLMNA |
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 |