Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16935145 | 0.81 | CES2 (0.39) | HSD17B2CES2CES1KEAP1ALOX5 | |
| SCHEMBL1691719 | 0.75 | — | — | |
| SCHEMBL14564985 | 0.75 | — | — | |
| SCHEMBL15206829 | 0.71 | — | — | |
| SCHEMBL1309059 | 0.71 | — | — | |
| SCHEMBL1311483 | 0.71 | — | — | |
| SCHEMBL1305502 | 0.69 | CES2 (0.45) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL22485690 | 0.69 | CES2 (0.45) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL1588235 | 0.68 | CES2 (0.41) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL4589933 | 0.67 | ALOX5 (0.44) | CES2CES1KEAP1ALOX5TSHR |
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-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 上海应用技术大学 | 2021-10-26 | — | — | CN | disclosed |