Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020983 | 0.87 | CES2 (0.57) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL27140868 | 0.80 | NPC1 (0.49) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL993397 | 0.78 | CES1 (0.46) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28252458 | 0.77 | CES2 (0.48) | CES2CES1MEN1KMT2AMAOA | |
| SCHEMBL28469730 | 0.77 | CES2 (0.45) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL4518320 | 0.75 | CES2 (0.79) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL15180847 | 0.75 | CES2 (0.79) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL10468144 | 0.75 | CES2 (0.54) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28252457 | 0.75 | CES2 (0.59) | CES2CES1PARP1MEN1KMT2A | |
| SCHEMBL28396 | 0.74 | CES2 (0.71) | CES2CES1PARP1HDAC1HDAC6 |
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-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | disclosed |