Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Octanoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.57 |
| ▸ | PPARG | P37231 | 7/20 | 0.57 |
| ▸ | PPARD | Q03181 | 7/20 | 0.57 |
| ▸ | PPARA | Q07869 | 7/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.57 |
| ▸ | TLR2 | O60603 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | FABP4 | P15090 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL27783966 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TBXA2RGPR84PPARGPPARD | |
| Dodecanoate SCHEMBL7290854 | 1.00 | ALDH1A1 (0.58) | ALDH1A1TBXA2RGPR84PPARGPPARD | |
| Dodecanoate SCHEMBL6915214 | 0.98 | ALDH1A1 (0.56) | ALDH1A1TBXA2RGPR84PPARGPPARD | |
| Valeric Acid SCHEMBL27883513 | 0.93 | TSHR (0.57) | ALDH1A1TBXA2RGPR84PPARGPPARD | |
| Azelaic Acid SCHEMBL10346760 | 0.91 | TBXA2R (0.67) | ALDH1A1TBXA2RHDAC11TSHRSMN1; SMN2 | |
| Heptane SCHEMBL18585529 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TSHRTDP1SMN1; SMN2CES2 | |
| Decane SCHEMBL3917036 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TSHRTDP1SMN1; SMN2CES2 | |
| Octane SCHEMBL8591856 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TSHRTDP1SMN1; SMN2CES2 | |
| SCHEMBL29109146 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TSHRTDP1SMN1; SMN2CES2 | |
| SCHEMBL29277553 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TSHRTDP1SMN1; SMN2CES2 |
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-113329632-A | Fatty acid derivatives for improving the effect of agrochemically active substances | 科莱恩国际有限公司 | 2021-08-31 | — | — | CN | disclosed |