Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Tributylmethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL1627727 | 0.97 | TP53 (0.41) | TP53SLC22A1DNM1BBOX1ENPP2 | |
| Tetrabuthylammonium SCHEMBL6379094 | 0.91 | SLC22A1 (0.55) | TP53SLC22A1DNM1SLC22A2 | |
| Tributylmethylammonium SCHEMBL1618263 | 0.90 | SLC22A1 (0.39) | TP53SLC22A1DNM1BBOX1ENPP2 | |
| Tetrabuthylammonium SCHEMBL6379089 | 0.89 | SLC22A1 (0.52) | TP53SLC22A1DNM1SLC22A2 | |
| Tributylmethylammonium SCHEMBL268725 | 0.88 | MEN1 (0.39) | TP53SLC22A1DNM1BBOX1ENPP2 | |
| Sulfuric Acid SCHEMBL4151448 | 0.88 | DNM1 (0.50) | SLC22A1DNM1APAF1HSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL27681657 | 0.88 | DNM1 (0.50) | SLC22A1DNM1APAF1HSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL2524035 | 0.88 | DNM1 (0.50) | SLC22A1DNM1APAF1HSP90AA1RAD52 | |
| Tributylmethylammonium SCHEMBL27557040 | 0.84 | SLC22A1 (0.35) | TP53SLC22A1DNM1BBOX1ENPP2 | |
| Tributylmethylammonium SCHEMBL21409548 | 0.84 | SLC22A1 (0.53) | SLC22A1DNM1APAF1HSP90AA1RAD52 |
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-109266378-B | Application of peroxodisulfate radical ion liquid compound in oil product desulfurization | 河南科技大学 | 2020-11-06 | — | — | CN | disclosed |