Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11194919 | 0.88 | SOAT1 (0.48) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL335361 | 0.85 | ALDH1A1 (0.48) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL29071038 | 0.84 | SMN1; SMN2 (0.34) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL10804777 | 0.83 | ALDH1A1 (0.46) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL2315611 | 0.83 | ALDH1A1 (0.40) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL15437483 | 0.83 | ALDH1A1 (0.46) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL5143327 | 0.81 | GAA (0.54) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL23164135 | 0.79 | ALDH1A1 (0.42) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL1562034 | 0.79 | ALDH1A1 (0.42) | SOAT1ALDH1A1CA12CA1CA2 | |
| SCHEMBL1919905 | 0.79 | ALDH1A1 (0.46) | SOAT1ALDH1A1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116947600-B | Preparation method of 2-isopropyl valeric acid as valproic acid process impurity | 湖南省湘中制药有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-116947600-A | Preparation method of 2-isopropyl valeric acid as valproic acid process impurity | 湖南省湘中制药有限公司 | 2023-10-27 | — | — | CN | disclosed |