Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.68 |
| ▸ | PPARG | P37231 | 7/20 | 0.68 |
| ▸ | PPARD | Q03181 | 7/20 | 0.68 |
| ▸ | PPARA | Q07869 | 7/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.68 |
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.68 |
| ▸ | FABP4 | P15090 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | TLR2 | O60603 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.68 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | ESR1 | P03372 | 1/20 | 0.68 |
| ▸ | PDE4A | P27815 | 1/20 | 0.68 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Nonanoate SCHEMBL29183537 | 1.00 | GPR84 (0.68) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL29222015 | 1.00 | GPR84 (0.68) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL5372517 | 0.98 | GPR84 (0.71) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL9782751 | 0.98 | GPR84 (0.71) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decanoic Acid SCHEMBL28405416 | 0.98 | GPR84 (0.71) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL5575022 | 0.94 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL5574374 | 0.94 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL5573613 | 0.94 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL5574443 | 0.94 | GPR84 (0.64) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL28534534 | 0.93 | GPR84 (0.59) | GPR84PPARGPPARDPPARAHDAC11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114702537-A | Method for separating geniposide and aucubin | 中国农业科学院麻类研究所 | 2022-07-05 | — | — | CN | claimed |
| CN-114702537-B | Method for separating geniposide and aucubin | 中国农业科学院麻类研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-114702537-A | Method for separating geniposide and aucubin | 中国农业科学院麻类研究所 | 2022-07-05 | — | — | CN | disclosed |