Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11099727 | 0.79 | POLB (0.46) | CYP2C19CYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL28023863 | 0.78 | BACE1 (0.38) | CYP2C19CYP3A4TSHRHSD17B10CYP1A2 | |
| SCHEMBL28059815 | 0.73 | IFNAR1 (0.40) | CYP2C19CYP3A4TSHRIFNAR1HDAC3 | |
| SCHEMBL13144302 | 0.72 | HDAC3 (0.43) | CYP2C19IFNAR1HDAC3HDAC4HDAC1 | |
| SCHEMBL28023321 | 0.71 | LMNA (0.42) | CYP2C19LMNAALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL2232580 | 0.70 | HDAC3 (0.45) | CYP2C19CYP3A4TSHRIFNAR1HDAC3 | |
| SCHEMBL1057367 | 0.70 | IFNAR1 (0.47) | CYP2C19TSHRIFNAR1HDAC3HDAC4 | |
| SCHEMBL28023866 | 0.69 | HPGD (0.41) | CYP2C19CYP3A4HPGDCYP1A2CYP2C9 | |
| SCHEMBL3077714 | 0.68 | MEN1 (0.61) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28820996 | 0.68 | L3MBTL1 (0.40) | CYP2C19HPGDHIF1ALMNAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744325-B | A kind of Alpha-hydroxy thioether and preparation method and application | 中国人民大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104744325-A | Alpha- hydroxysulfide and preparation method and application thereof | PEOPLES UNIV CHINA | 2015-07-01 | — | — | CN | disclosed |