Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14321085 | 1.00 | HDAC4 (0.42) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL28123579 | 0.87 | PGK1 (0.35) | IDO1TDO2CES2CES1 | |
| SCHEMBL5848051 | 0.79 | HDAC4 (0.46) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL4433928 | 0.78 | HDAC4 (0.47) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL14321258 | 0.78 | ALDH1A1 (0.35) | IDO1TDO2CES2CES1 | |
| SCHEMBL723341 | 0.78 | HDAC4 (0.47) | HDAC4HDAC7HDAC5IDO1TDO2 | |
| SCHEMBL15801438 | 0.78 | ACHE (0.42) | ACHEAOC3CYP19A1 | |
| SCHEMBL15791963 | 0.78 | PNMT (0.51) | IDO1TDO2CES2OPRM1OPRD1 | |
| SCHEMBL29488210 | 0.78 | ACP3 (0.40) | AOC3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL14320947 | 0.78 | ACP3 (0.40) | AOC3OPRM1OPRD1OPRK1OPRL1 |
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-111875523-B | Synthetic method of alpha-fluorovinyl thioether derivative | 温州大学 | 2022-03-25 | — | — | CN | disclosed |