Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.80 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.76 |
| ▸ | PPARG | P37231 | 7/20 | 0.76 |
| ▸ | PPARD | Q03181 | 7/20 | 0.76 |
| ▸ | PPARA | Q07869 | 7/20 | 0.76 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.76 |
| ▸ | TSHR | P16473 | 4/20 | 0.76 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.76 |
| ▸ | FABP4 | P15090 | 3/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | TLR2 | O60603 | 2/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.76 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.76 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | ESR1 | P03372 | 1/20 | 0.76 |
| ▸ | PDE4A | P27815 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL28902655 | 0.98 | AKR1B1 (0.76) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexacosanoic Acid SCHEMBL11757889 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptanoate SCHEMBL2464651 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Palmitic Acid SCHEMBL11873354 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL2805556 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Stearic Acid SCHEMBL3846921 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanoate SCHEMBL4163718 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecanoate SCHEMBL5303923 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL5159045 | 0.98 | GPR84 (0.81) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL28902656 | 0.98 | AKR1B1 (0.76) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109970760-B | ACC inhibitors and uses thereof | 吉利德阿波罗公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-108290902-B | Ester ACC inhibitors and uses thereof | 吉利德阿波罗公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-108349995-B | Pyrazole ACC inhibitors and uses thereof | 吉利德阿波罗公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-108349994-B | Triazole ACC inhibitors and uses thereof | 吉利德阿波罗公司 | 2021-06-22 | — | — | CN | disclosed |