Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Hexyl Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | PLA2G4B | P0C869 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL2470729 | 0.93 | ALDH1A1 (0.62) | TSHRTP53PLA2G4BALDH1A1LMNA | |
| Acetophenone SCHEMBL28079102 | 0.89 | TSHR (0.56) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Benzoic Acid Octyl Ester SCHEMBL22129334 | 0.87 | TDP1 (0.71) | TSHRTP53PLA2G4BALDH1A1LMNA | |
| Benzoic Acid SCHEMBL28661767 | 0.86 | LMNA (0.65) | TSHRTP53PLA2G4BALDH1A1LMNA | |
| Acetic Acid Hexadecyl Ester SCHEMBL28770257 | 0.86 | ALDH1A1 (0.71) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Heptylacetate SCHEMBL28774439 | 0.86 | ALDH1A1 (0.71) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Nonylacetate SCHEMBL27709810 | 0.86 | ALDH1A1 (0.71) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Hexyl Acetate SCHEMBL27730086 | 0.86 | ALDH1A1 (0.71) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Octyl Acetate SCHEMBL27730087 | 0.86 | ALDH1A1 (0.71) | TSHRTP53ALDH1A1LMNACYP3A4 | |
| Nonylacetate SCHEMBL7637665 | 0.85 | ALDH1A1 (0.58) | TSHRTP53ALDH1A1LMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117017798-A | Refreshing and safe sun-screening composition with ultra-broad-spectrum protection function and preparation method thereof | 广州耀悦生物科技有限公司 | 2023-11-10 | — | — | CN | disclosed |