Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.55 |
| ▸ | FEN1 | P39748 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.51 |
| ▸ | WNT3A | P56704 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1232758 | 0.96 | — | — | |
| Dimethylamine SCHEMBL28391186 | 0.90 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| Dimethylamine SCHEMBL27907958 | 0.89 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| Aluminum Chloride Anhydrous SCHEMBL28855303 | 0.89 | GSK3B (0.61) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL6419377 | 0.81 | ERCC5 (0.61) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL28752701 | 0.80 | GSK3B (0.51) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL3177576 | 0.80 | LMNA (0.77) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL13061972 | 0.79 | LMNA (0.75) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL4765892 | 0.79 | — | — | |
| SCHEMBL711360 | 0.79 | RAB9A (0.75) | ALDH1A1NPC1RAB9ALMNAPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116083381-A | Alcohol dehydrogenase and application thereof in preparation of duloxetine key intermediate | 上海奥博生物医药股份有限公司 | 2023-05-09 | — | — | CN | claimed |