Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7440960 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL31709800 | 0.91 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL28039282 | 0.89 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL9820016 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL1005760 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL24810919 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL7890507 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL24996860 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL3364814 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B | |
| SCHEMBL5142251 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B |
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-0618891-A1 | METHOD FOR MAKING VALPROIC ACID DERIVATIVES | BECKMAN INSTRUMENTS, INC. (US) | 1994-10-12 | — | — | EP | disclosed |
| WO-1994006745-A1 | METHOD FOR MAKING VALPROIC ACID DERIVATIVES | BECKMAN INSTRUMENTS, INC. (US) | 1994-03-31 | — | — | WO | disclosed |