Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Valeric 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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 7/20 | 0.41 |
| ▸ | PPARD | Q03181 | 7/20 | 0.41 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL28316019 | 0.92 | AKR1B1 (0.47) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL14334833 | 0.90 | AKR1B1 (0.52) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL28621741 | 0.87 | AKR1B1 (0.55) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL8761793 | 0.84 | AKR1B1 (0.61) | AKR1B1GPR84PPARGPPARDPPARA | |
| Palmitic Acid SCHEMBL23529891 | 0.83 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Undecanoate SCHEMBL1465216 | 0.83 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanoate SCHEMBL28904463 | 0.83 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Stearic Acid SCHEMBL7117718 | 0.83 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonanoate SCHEMBL29126342 | 0.83 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| Myristic Acid SCHEMBL28256004 | 0.83 | GPR84 (0.63) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103881084-B | Phospholipid derivative of branched polyethylene glycol and lipid membrane structure body composed of phospholipid derivative | 厦门赛诺邦格生物科技股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105622925-A | Lipid derivative of branched polyethylene glycol and lipid membrane structural body formed by same | XIAMEN SINOPEG BIOTECHNOLOGY CO LTD | 2016-06-01 | — | — | CN | disclosed |