Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL23064491 | 0.86 | ALDH1A1 (0.57) | ALDH1A1MAPTHTTKDM4EL3MBTL1 | |
| SCHEMBL18124187 | 0.80 | ALDH1A1 (0.57) | HDAC6HDAC8ALDH1A1MAPTHTT | |
| SCHEMBL30745935 | 0.79 | ALDH1A1 (0.37) | ALDH1A1MAPTHTTKDM4ENPSR1 | |
| SCHEMBL30863815 | 0.77 | PLD1 (0.49) | HDAC6HDAC8ALDH1A1MAPTKDM4E | |
| SCHEMBL30745923 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTKDM4EL3MBTL1 | |
| SCHEMBL5482822 | 0.75 | KDM4E (0.42) | HDAC6HDAC8ALDH1A1MAPTHTT | |
| SCHEMBL27268114 | 0.75 | LMNA (0.50) | ALDH1A1MAPTHTTKDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL30745925 | 0.75 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTKDM4EL3MBTL1 | |
| SCHEMBL24313221 | 0.74 | HDAC6 (0.43) | HDAC6HDAC8MAPTHTTKDM4E | |
| SCHEMBL6262600 | 0.74 | KDM4E (0.44) | ALDH1A1MAPTHTTKDM4EHSD17B10 |
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-114907338-B | Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-06 | — | — | CN | disclosed |