Known targets — ChEMBL curated mechanism
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
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.67 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 SCHEMBL243899 | 1.00 | SLC22A1 (0.67) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28652896 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL9795128 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL27541838 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28646345 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28650063 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL9998667 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL1078546 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL20550034 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL27745678 | 0.97 | SLC22A1 (0.63) | SLC22A1SLC22A2TP53ALDH1A1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104334558-A | 1,3, 4-oxadiazole and 1,3, 4-thiadiazole beta-lactamase inhibitors | CUBIST PHARM INC | 2015-02-04 | — | — | CN | disclosed |
| CN-104334555-A | Isoxazole beta-lactamase inhibitors | CUBIST PHARM INC | 2015-02-04 | — | — | CN | disclosed |