Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22179959 | 1.00 | HDAC1 (0.46) | HDAC1HDAC2HDAC3ALDH1A1KDM4E | |
| SCHEMBL30738323 | 0.91 | ABL1 (0.47) | HDAC1HDAC2ALDH1A1CLK4HIF1A | |
| SCHEMBL22180265 | 0.91 | ABL1 (0.47) | HDAC1HDAC2ALDH1A1CLK4HIF1A | |
| SCHEMBL22179942 | 0.89 | MAP4K4 (0.39) | HDAC1HDAC2HDAC3MAP4K4TSHR | |
| SCHEMBL30738414 | 0.89 | MAP4K4 (0.39) | HDAC1HDAC2HDAC3MAP4K4TSHR | |
| SCHEMBL22179710 | 0.89 | MAP4K4 (0.39) | HDAC1HDAC2HDAC3MAP4K4TSHR | |
| SCHEMBL30738308 | 0.89 | MAP4K4 (0.39) | HDAC1HDAC2HDAC3MAP4K4TSHR | |
| SCHEMBL28591475 | 0.89 | MAP4K4 (0.39) | HDAC1HDAC2HDAC3MAP4K4TSHR | |
| SCHEMBL22179742 | 0.88 | HDAC1 (0.46) | HDAC1HDAC2HDAC3ALDH1A1KDM4E | |
| SCHEMBL30738365 | 0.88 | HDAC1 (0.46) | HDAC1HDAC2HDAC3ALDH1A1KDM4E |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |