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 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 SCHEMBL796614 | 0.76 | CHRM1 (0.30) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL7787359 | 0.75 | CHRM1 (0.62) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL29994989 | 0.73 | CHRM1 (0.67) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL7781978 | 0.72 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL795762 | 0.70 | CHRM1 (0.76) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| 2-Ethylhexanoic Acid SCHEMBL29351927 | 0.67 | CA2 (0.72) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL31132058 | 0.65 | CA2 (0.57) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL795764 | 0.65 | HDAC7 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL7781969 | 0.64 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL25362042 | 0.62 | CHRM1 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| US-20120071554-A1 | DEUTERATED 2-PROPYLPENTANOIC ACID COMPOUNDS | CONCERT PHARMACEUTICALS INC. | 2012-03-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120071554-A1 | DEUTERATED 2-PROPYLPENTANOIC ACID COMPOUNDS | GABRD, GABRA5, GABRA2 | CHRM1 1767/4885AKR1A1 3020/4885CHRM3 1270/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.