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 | 1.00 |
| ▸ | AKR1A1 | P14550 | 1/20 | 1.00 |
| ▸ | CHRM3 | P20309 | 1/20 | 1.00 |
| ▸ | HTR2A | P28223 | 1/20 | 1.00 |
| ▸ | HTR2C | P28335 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | HRH1 | P35367 | 1/20 | 1.00 |
| ▸ | DRD3 | P35462 | 1/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 1/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.62 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.62 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.62 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.62 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
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 SCHEMBL140241 | 1.00 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2275 | 1.00 | CHRM1 (1.00) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL6910916 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL7579608 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2054191 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL69795 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1738242 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL21378840 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL139238 | 0.97 | CHRM1 (0.94) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Valproic Acid SCHEMBL2184648 | 0.97 | CHRM1 (0.94) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |