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 | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.89 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.89 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.89 |
| ▸ | HTR2A | P28223 | 1/20 | 0.89 |
| ▸ | HTR2C | P28335 | 1/20 | 0.89 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.89 |
| ▸ | HRH1 | P35367 | 1/20 | 0.89 |
| ▸ | DRD3 | P35462 | 1/20 | 0.89 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.89 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.89 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.89 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.89 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.58 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.58 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.58 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.58 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
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 SCHEMBL244738 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2054191 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL139238 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL7579608 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL6910916 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL1685069 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL28857465 | 0.94 | CHRM1 (0.89) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL5718019 | 0.94 | CHRM1 (0.89) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2275 | 0.94 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL1330837 | 0.94 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-103415286-A | Compounds and methods for treating pain | AKRON MOLECULES GMBH | 2013-11-27 | — | — | CN | disclosed |