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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 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 SCHEMBL1756149 | 0.98 | SLC22A1 (0.57) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL10581121 | 0.98 | SLC22A1 (0.57) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL317532 | 0.98 | SLC22A1 (0.57) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL1537335 | 0.95 | SLC22A1 (0.55) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL180423 | 0.95 | SLC22A1 (0.55) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL23632806 | 0.95 | SLC22A1 (0.55) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL24419 | 0.95 | SLC22A1 (0.60) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL1756146 | 0.95 | SLC22A1 (0.60) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL7396013 | 0.93 | SLC22A1 (0.57) | SLC22A1SLC22A2TP53TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL2313513 | 0.93 | SLC22A1 (0.57) | SLC22A1SLC22A2TP53TSHRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483492-A | Dipeptidyl peptidase i inhibitors | ASTRAZENECA AB | 2019-11-22 | — | — | CN | disclosed |
| CN-105980367-B | (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors | 阿斯利康(瑞典)有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-102971451-B | catalyst mixture | 二氧化碳材料公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-104024318-A | VULCANISABLE COMPOSITIONS BASED ON EPOXY GROUP-CONTAINING NITRILE RUBBERS | LANXESS DEUTSCHLAND GMBH | 2014-09-03 | — | — | CN | disclosed |
| CN-102971451-A | Novel catalyst mixtures | Dioxide Materials Inc | 2013-03-13 | — | — | CN | disclosed |