Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.63 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.63 |
| ▸ | NOS3 | P29474 | 2/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27342421 | 1.00 | SPHK2 (0.63) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Guanidine SCHEMBL27317151 | 0.96 | SPHK2 (0.68) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Hexane SCHEMBL28009759 | 0.96 | SPHK2 (0.60) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Guanidine SCHEMBL27869089 | 0.85 | TSHR (0.63) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Tetrabuthylammonium SCHEMBL17396309 | 0.85 | SLC22A1 (0.67) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Guanidine SCHEMBL28700657 | 0.85 | DNM1 (0.72) | SPHK2SPHK1TSHRTHRBMEN1 | |
| Hexane SCHEMBL28169779 | 0.85 | TP53 (0.54) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Guanidine SCHEMBL21067307 | 0.85 | DNM1 (0.72) | SPHK2SPHK1TSHRTHRBMEN1 | |
| Dodecylamine SCHEMBL27696549 | 0.85 | DNM1 (0.72) | SPHK2SPHK1TSHRTHRBMEN1 | |
| Octadecylamine SCHEMBL28250639 | 0.85 | DNM1 (0.72) | SPHK2SPHK1TSHRTHRBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001044414-A1 | METHOD FOR BIOSTABILISATION OF PETROLEUM PRODUCTS | REGIONALNAYA OBSCHESTVENNAYA ORGANIZATSIYA-INSTITUT EKOLOGO-TEKHNOLOGICHESKIKH PROBLEM (RU) | 2001-06-21 | — | — | WO | disclosed |