Known targets — ChEMBL curated mechanism
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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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28275742 | 0.92 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Hexane SCHEMBL8820866 | 0.92 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| 1-Heptanol SCHEMBL8548655 | 0.91 | LMNA (0.54) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Ethyl Acetate SCHEMBL8340468 | 0.90 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Hexane SCHEMBL5393958 | 0.90 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Hexane SCHEMBL6415173 | 0.90 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHTSHR | |
| Heptane SCHEMBL10665572 | 0.89 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Hexane SCHEMBL5311101 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Heptane SCHEMBL10663246 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH | |
| Hexane SCHEMBL28061489 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10SMN1; SMN2FAAH |
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-2007064029-A1 | OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE | FUJIFILM CORPORATION (JP) | 2007-06-07 | — | — | WO | disclosed |