Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Valproic 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.73 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.73 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.73 |
| ▸ | HTR2A | P28223 | 1/20 | 0.73 |
| ▸ | HTR2C | P28335 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
| ▸ | HRH1 | P35367 | 1/20 | 0.73 |
| ▸ | DRD3 | P35462 | 1/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.73 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 6/20 | 0.50 |
| ▸ | PPARD | Q03181 | 6/20 | 0.50 |
| ▸ | PPARA | Q07869 | 6/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Valproic Acid SCHEMBL31294669 | 0.93 | TDP1 (0.70) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2231629 | 0.93 | TDP1 (0.70) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3141989 | 0.91 | TDP1 (0.67) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Valproic Acid SCHEMBL28198009 | 0.91 | HDAC1 (0.80) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3446766 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL11200978 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL11508833 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3447478 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3862279 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3146559 | 0.90 | TDP1 (0.64) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759460-A | A kind of method for preparing the more acid monomers of polyphenyls | 朱翠英 | 2018-03-06 | — | — | CN | disclosed |
| CN-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |