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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
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 SCHEMBL1004170 | 0.94 | SLC6A3 (0.62) | SLC6A3SLC6A2SLC6A4BLMMEN1 | |
| Vigabatrin SCHEMBL465981 | 0.84 | — | — | |
| Vigabatrin SCHEMBL5785801 | 0.84 | CYP2D6 (1.00) | SLC6A3SLC6A2SLC6A4BLMMEN1 | |
| Vigabatrin SCHEMBL9132153 | 0.84 | — | — | |
| Vigabatrin SCHEMBL26714 | 0.84 | — | — | |
| Vigabatrin SCHEMBL31159534 | 0.84 | — | — | |
| Vigabatrin SCHEMBL20659806 | 0.82 | CYP2D6 (0.95) | SLC6A3SLC6A2SLC6A4BLMMEN1 | |
| SCHEMBL2230782 | 0.80 | CHRM1 (0.76) | SLC6A3CHRM1AKR1A1CHRM3HTR2A | |
| Valproic Acid SCHEMBL6884475 | 0.79 | SLC1A2 (0.69) | SLC6A3BLMKMT2ACHRM1AKR1A1 | |
| SCHEMBL30860117 | 0.78 | CHRM1 (0.67) | SLC6A3CHRM1AKR1A1CHRM3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011113904-A1 | MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2011-09-22 | — | — | WO | claimed |
| WO-2011113904-A1 | MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2011-09-22 | — | — | WO | disclosed |