Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29114071 | 0.86 | L3MBTL1 (0.50) | NPC1ALDH1A1KDM4EMAPTGSK3B | |
| SCHEMBL29114079 | 0.85 | MAPT (0.53) | ALDH1A1CYP1A2MAPTGSK3BRAB9A | |
| SCHEMBL22281426 | 0.84 | GSK3B (0.61) | NPC1ALDH1A1MAPTGSK3BMAPK1 | |
| SCHEMBL19660154 | 0.82 | GSK3B (0.57) | NPC1ALDH1A1CYP1A2MAPTGSK3B | |
| SCHEMBL29114075 | 0.81 | NPC1 (0.50) | NPC1ALDH1A1MAPTGSK3BRAB9A | |
| SCHEMBL30626939 | 0.81 | NPC1 (0.50) | NPC1ALDH1A1MAPTGSK3BRAB9A | |
| SCHEMBL21128712 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL5309587 | 0.79 | HDAC3 (0.57) | NPC1ALDH1A1MAPTGSK3BRAB9A | |
| SCHEMBL29114080 | 0.79 | KCNK3 (0.51) | NPC1ALDH1A1MAPTGSK3BRAB9A | |
| SCHEMBL6284563 | 0.75 | HDAC3 (0.54) | NPC1ALDH1A1MAPTGSK3BHDAC3 |
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-116947636-A | Preparation method of 2-acyl-4-oxo-butyrate derivative | 华侨大学 | 2023-10-27 | — | — | CN | disclosed |