Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.40 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL945839 | 0.87 | TDP1 (0.53) | SLC22A6LMNAALDH1A1MAPTGABRR1 | |
| (R)-3-Hydroxybutanoate SCHEMBL15319572 | 0.85 | SLC22A6 (0.50) | SLC22A6LMNAALDH1A1MAPTGABRR1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL29155550 | 0.85 | SLC22A6 (0.50) | SLC22A6LMNAALDH1A1MAPTGABRR1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL20524888 | 0.85 | SLC22A6 (0.50) | SLC22A6LMNAALDH1A1MAPTGABRR1 | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.84 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.84 | TDP1 (0.56) | SLC22A6ALDH1A1MAPTGABRR1TDP1 | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.84 | — | — | |
| Glycerin SCHEMBL8035166 | 0.82 | CYP2C19 (0.52) | SLC22A6LMNAALDH1A1TDP1 | |
| 3-Methylbutanoic Acid SCHEMBL1373554 | 0.81 | TDP1 (0.48) | SLC22A6ALDH1A1TDP1CACNA2D1CACNB3 | |
| Glycerin SCHEMBL2860442 | 0.81 | SLC22A6 (0.46) | SLC22A6LMNAALDH1A1MAPTGABRR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1531924-A | Use of isovaleric acid derivatives CNS inhibitors in preparing medicine for curing headache | NPSҩ������˾ | 2004-09-29 | — | — | CN | disclosed |
| CN-1152677-C | Treatment of spasticity and convulsions with isovaleric acid derivatives CNS inhibitors | NPSҩ������˾ | 2004-06-09 | — | — | CN | disclosed |
| CN-1235541-A | Treatment of spasticity, convulsions with isovaleric acid derivatives CNS inhibitors | NPS PHARMA INC (US) | 1999-11-17 | — | — | CN | disclosed |