Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.67 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 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 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
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 SCHEMBL17473791 | 0.88 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Hexane SCHEMBL27342421 | 0.85 | SPHK2 (0.63) | ALDH1A1TSHRSMN1; SMN2HSD17B10SPHK2 | |
| Hexane SCHEMBL7755378 | 0.85 | SPHK2 (0.63) | ALDH1A1TSHRSMN1; SMN2HSD17B10SPHK2 | |
| Tetrabuthylammonium SCHEMBL28209653 | 0.83 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28594065 | 0.83 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL15611103 | 0.82 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Hexane SCHEMBL28009759 | 0.82 | SPHK2 (0.60) | ALDH1A1TSHRSMN1; SMN2HSD17B10SPHK2 | |
| Guanidine SCHEMBL27317151 | 0.82 | SPHK2 (0.68) | ALDH1A1TSHRHSD17B10SPHK2SPHK1 | |
| Tetrabuthylammonium SCHEMBL22384 | 0.82 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL2007037 | 0.82 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3161102-B1 | PHOTOCHROMIC ARTICLES CONTAINING POLYOXOMETALATE DERIVATIVES AND METHODS OF MAKING SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2019-01-16 | — | — | EP | disclosed |
| US-9976077-B2 | Photochromic articles containing polyoxometalate derivatives and methods of making same | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-05-22 | — | — | US | disclosed |
| US-20170198215-A1 | PHOTOCHROMIC ARTICLES CONTAINING POLYOXOMETALATE DERIVATIVES AND METHODS OF MAKING SAME | 3M INNOVATIVE PROPERTIES COMPANY | 2017-07-13 | — | — | US | disclosed |
| EP-3161102-A1 | PHOTOCHROMIC ARTICLES CONTAINING POLYOXOMETALATE DERIVATIVES AND METHODS OF MAKING SAME | 3M Innovative Properties Company (US) | 2017-05-03 | — | — | EP | disclosed |
| WO-2016003683-A1 | PHOTOCHROMIC ARTICLES CONTAINING POLYOXOMETALATE DERIVATIVES AND METHODS OF MAKING SAME | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2016-01-07 | — | — | WO | disclosed |