Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.69 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | LTA4H | P09960 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | HRH2 | P25021 | 4/20 | 0.58 |
| ▸ | HRH1 | P35367 | 4/20 | 0.58 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL27853338 | 0.96 | HRH3 (0.76) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL28180188 | 0.95 | HRH3 (0.78) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL5754416 | 0.93 | KDM4E (0.88) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL4453239 | 0.87 | HRH3 (0.89) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL491607 | 0.86 | HRH3 (0.86) | ALDH1A1KDM4ETDP1HRH3KCNH2 | |
| SCHEMBL21814264 | 0.86 | HRH3 (0.86) | ALDH1A1KDM4ETDP1HRH3KCNH2 | |
| SCHEMBL521113 | 0.84 | HRH3 (0.71) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL5856034 | 0.84 | HRH3 (0.84) | ALDH1A1KDM4ETDP1HRH3KCNH2 | |
| SCHEMBL20236361 | 0.83 | HRH3 (0.69) | ALDH1A1KDM4ETDP1MAPTHRH3 | |
| SCHEMBL2719675 | 0.83 | HRH3 (0.69) | ALDH1A1KDM4ETDP1MAPTHRH3 |
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-108137518-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |