Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Tetrahexylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.63 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.59 |
| ▸ | LSS | P48449 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL11841092 | 0.97 | SLC22A1 (0.72) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL3645862 | 0.95 | SLC22A1 (0.68) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL8961163 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL3042996 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL941071 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL2099654 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL10567382 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL29161612 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Perchlorate SCHEMBL29897731 | 0.95 | SLC22A1 (0.77) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrapentylammonium SCHEMBL160424 | 0.92 | SLC22A1 (0.75) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2167516-A1 | PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS | Cytochroma Inc. (CA) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008146130-A1 | PROCESS FOR PRODUCING PHOSPHINE OXIDE VITAMIN D PRECURSORS | CYTOCHROMA INC. (CA) | 2008-12-04 | — | — | WO | disclosed |