Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10456255 | 0.75 | CES1 (0.41) | CES1CES2AKR1B1FNTAFNTB | |
| SCHEMBL27999703 | 0.73 | — | — | |
| SCHEMBL29190936 | 0.67 | MAOA (0.35) | ALDH1A1MEN1KMT2A | |
| SCHEMBL13704034 | 0.66 | CES2 (0.38) | CES1CES2AKR1B1MAPK1ALDH1A1 | |
| SCHEMBL347447 | 0.65 | AKR1C1 (0.38) | HDAC4HDAC9HTT | |
| SCHEMBL10608700 | 0.64 | CES1 (0.47) | CES1CES2AKR1B1FNTAFNTB | |
| SCHEMBL29190924 | 0.64 | POLB (0.33) | CES1ALDH1A1GAA | |
| SCHEMBL8391946 | 0.63 | CES1 (0.50) | CES1CES2AKR1B1FNTAFNTB | |
| SCHEMBL8391674 | 0.60 | CES1 (0.47) | CES1CES2AKR1B1FNTAFNTB | |
| SCHEMBL8392962 | 0.60 | CES1 (0.47) | CES1CES2AKR1B1FNTAFNTB |
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-204918447-U | Novel production of 7 - hydroxyl isoflavone device | XINYI WANYU INDUSTRY AND TRADE CO LTD | 2015-12-30 | — | — | CN | disclosed |