Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
The experimentally established mechanism targets of Hexanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA known ✓ | Q07869 | 7/20 | 0.61 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.61 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.64 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.61 |
| ▸ | PPARG | P37231 | 7/20 | 0.61 |
| ▸ | PPARD | Q03181 | 7/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.61 |
| ▸ | FABP4 | P15090 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TLR2 | O60603 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.61 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Decanoic Acid SCHEMBL29213878 | 0.98 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL153529 | 0.98 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Stearic Acid SCHEMBL27497997 | 0.98 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Palmitic Acid SCHEMBL27628966 | 0.98 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanoate SCHEMBL19253063 | 0.98 | GPR84 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Palmitic Acid SCHEMBL25433590 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL29221971 | 0.96 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL28053697 | 0.94 | AKR1B1 (0.54) | AKR1B1GPR84PPARGPPARDPPARA | |
| Adipic Acid SCHEMBL21380515 | 0.92 | LMNA (0.55) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL8132472 | 0.91 | AKR1B1 (0.53) | AKR1B1GPR84PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117100681-A | Permeation promoting composition of ionic liquid and spongy bone needle, and active composition and application thereof | 厦门大学 | 2023-11-24 | — | — | CN | claimed |
| WO-2024230800-A1 | PENETRATION-ENHANCING COMPOSITION COMPRISING IONIC LIQUIDS AND SPONGE SPICULES, ACTIVE COMPOSITION COMPRISING PENETRATION-ENHANCING COMPOSITION, AND USES | 厦门大学 | 2024-11-14 | — | — | WO | disclosed |
| CN-118058284-A | Fatty acid choline salt soluble solution and preparation method and application thereof | 郑州郑氏化工产品有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117100681-A | Permeation promoting composition of ionic liquid and spongy bone needle, and active composition and application thereof | 厦门大学 | 2023-11-24 | — | — | CN | disclosed |
| CN-109789216-A | Skin treating topical formulations based on ionic species | 加利福尼亚大学董事会 | 2019-05-21 | — | — | CN | disclosed |