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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.58 |
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | PPARD | Q03181 | 7/20 | 0.58 |
| ▸ | PPARA | Q07869 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TLR2 | O60603 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
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 SCHEMBL27810607 | 0.98 | AKR1B1 (0.58) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL5874310 | 0.93 | AKR1B1 (0.73) | AKR1B1GPR84PPARGPPARDPPARA | |
| Stearic Acid SCHEMBL5875244 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Myristic Acid SCHEMBL30516884 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Dodecanoate SCHEMBL30434420 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL5874512 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptanoate SCHEMBL5874227 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Nonanoate SCHEMBL5874392 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL5875008 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL5874874 | 0.89 | AKR1B1 (0.54) | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108419435-A | Compound and epigenetics for treating cancer | 新加坡科技研究局 | 2018-08-17 | — | — | CN | disclosed |
| CN-102405220-B | Thiazole derivatives and their use as p2y12 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-101868469-B | Phosphonic acid derivatives and their use as P2Y12Receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2014-04-02 | — | — | CN | disclosed |
| CN-102369197-B | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines used as ADP receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2013-11-06 | — | — | CN | disclosed |
| CN-102405220-A | Thiazole derivatives and their use as P2Y12Use of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2012-04-04 | — | — | CN | disclosed |
| CN-102369197-A | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines used as adp receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2012-03-07 | — | — | CN | disclosed |
| CN-101868469-A | Phosphonic acid derivatives and their use as P2Y12ReceptorsAntagonists | ACTELION PHARMACEUTICALS LTD | 2010-10-20 | — | — | CN | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |