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 | 0.47 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2678857 | 0.79 | — | — | |
| SCHEMBL1402641 | 0.79 | — | — | |
| SCHEMBL6505632 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11770335 | 0.77 | AR (0.35) | SMN1; SMN2BCHEDPP4ALDH1A1MAPK1 | |
| SCHEMBL11547875 | 0.73 | EPHX1 (0.35) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL6368086 | 0.70 | ITGB1 (0.40) | HDAC1HDAC2BCHEDPP4F2 | |
| Valproic Acid SCHEMBL2275 | 0.69 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL1330837 | 0.69 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL11164326 | 0.69 | CHRM1 (0.64) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL140241 | 0.69 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120289471-A1 | NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-11-15 | — | — | US | disclosed |
| US-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |
| US-20060241017-A1 | Novel compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC | 2006-10-26 | — | — | 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 (2 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-20120289471-A1 | NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX | IL4I1, SLC7A1, GOT1 | CHRM1 4177/4885AKR1A1 1666/4885CHRM3 3706/4885 |
| US-20060241017-A1 | Novel compounds with high therapeutic index | IL4I1, SLC7A1, GOT1 | CHRM1 4177/4885AKR1A1 1666/4885CHRM3 3706/4885 |
“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.