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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.79 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.79 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.79 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.79 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.79 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.79 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.79 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.79 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.79 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.79 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.79 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL675237 | 0.89 | HDAC1 (1.00) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| Ar-42 SCHEMBL2158594 | 0.80 | HDAC1 (0.76) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL673533 | 0.74 | HDAC1 (0.71) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL675454 | 0.71 | HDAC1 (1.00) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL22570424 | 0.71 | HDAC2 (0.65) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL1861360 | 0.70 | GRIK1 (0.62) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL1869110 | 0.69 | HDAC1 (0.59) | HDAC1HDAC2HDAC8HDAC3HDAC4 | |
| SCHEMBL5510828 | 0.69 | GRIK1 (0.56) | HDAC1HDAC2MAPT | |
| SCHEMBL8284718 | 0.69 | HDAC1 (0.60) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL7440675 | 0.68 | MEN1 (0.71) | HDAC1HDAC2HDAC8HDAC6HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2040731-A2 | SOLID ORAL DOSAGE FORM CONTAINING AN ENHANCER | Merrion Research III Limited (IE) | 2009-04-01 | — | — | EP | claimed |
| WO-2007146234-A2 | SOLID ORAL DOSAGE FORM CONTAINING AN ENHANCER | MERRION RESEARCH II LIMITED (IE) | 2007-12-21 | — | — | WO | claimed |