Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL237104 | 0.82 | TDP1 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5067075 | 0.82 | ALDH1A1 (0.49) | ALDH1A1IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL11004764 | 0.81 | ALDH1A1 (0.46) | ALDH1A1IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL28783018 | 0.81 | HDAC4 (0.72) | ALDH1A1IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL28146942 | 0.78 | PARP1 (0.41) | ALDH1A1IDO1TDO2HDAC4S1PR3 | |
| SCHEMBL9298189 | 0.78 | PARP1 (0.41) | ALDH1A1IDO1TDO2S1PR3S1PR4 | |
| SCHEMBL9298186 | 0.78 | PARP1 (0.41) | ALDH1A1IDO1TDO2S1PR3S1PR4 | |
| SCHEMBL9772448 | 0.76 | ALDH1A1 (0.46) | ALDH1A1IDO1TDO2MEN1KMT2A | |
| SCHEMBL12470300 | 0.76 | ALDH1A1 (0.45) | ALDH1A1IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL25219122 | 0.75 | ALDH1A1 (0.45) | ALDH1A1IDO1TDO2L3MBTL1PARP1 |
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-108707114-A | A kind of acetamides and its preparation method and application | 上海泰禾国际贸易有限公司 | 2018-10-26 | — | — | CN | disclosed |