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 | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 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 SCHEMBL29130204 | 0.93 | KIF11 (0.44) | KIF11ESR1ESR2HSD17B3PTGS1 | |
| Tetrabuthylammonium SCHEMBL29130225 | 0.87 | LMNA (0.48) | ESR1ESR2HSD17B3PTGS1PTGS2 | |
| Tetrabuthylammonium SCHEMBL5702401 | 0.85 | KCNH2 (0.44) | KIF11PTGS2LMNAHTTHIF1A | |
| Tetrabuthylammonium SCHEMBL5702402 | 0.84 | CA2 (0.39) | KIF11PTGS2TRPV1LMNAMEN1 | |
| Tetrabuthylammonium SCHEMBL29130238 | 0.80 | ESR1 (0.47) | ESR1ESR2HSD17B3PTGS1PTGS2 | |
| Tetrabuthylammonium SCHEMBL6750374 | 0.80 | LMNA (0.47) | ESR1HSD17B3PTGS1PTGS2LMNA | |
| Tetrabuthylammonium SCHEMBL29130221 | 0.79 | LMNA (0.50) | ESR1ESR2HSD17B3PTGS1PTGS2 | |
| Tetrabuthylammonium SCHEMBL29130294 | 0.78 | TRPV1 (0.46) | ESR1ESR2PTGS2TRPV1 | |
| Tetrabuthylammonium SCHEMBL29130246 | 0.78 | HSD17B3 (0.49) | ESR1ESR2HSD17B3PTGS1PTGS2 | |
| Tetrabuthylammonium SCHEMBL29130235 | 0.77 | CA12 (0.47) | ESR1HSD17B3PTGS1PTGS2LMNA |
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 |