Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900984 | 0.72 | ESR1 (0.43) | CES2CES1ESR1ESR2HPGD | |
| SCHEMBL5779320 | 0.70 | ESR1 (0.41) | CES2CES1ESR1ESR2HPGD | |
| SCHEMBL552036 | 0.67 | ESR1 (0.39) | ESR1ESR2HPGDMAPTALDH1A1 | |
| SCHEMBL78217 | 0.66 | CES2 (0.52) | CES2CES1ESR1HPGDSMN1; SMN2 | |
| SCHEMBL9227536 | 0.65 | ESR1 (0.38) | ESR1ESR2SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL25179725 | 0.64 | MAPT (0.33) | ESR1ESR2MAPTALDH1A1KDM4E | |
| SCHEMBL6874393 | 0.64 | ESR1 (0.50) | CES2CES1ESR1ESR2HPGD | |
| Alcohol SCHEMBL28285118 | 0.64 | ESR1 (0.44) | CES2CES1ESR1ESR2L3MBTL1 | |
| SCHEMBL16706156 | 0.64 | ESR1 (0.44) | CES2CES1ESR1ESR2HPGD | |
| SCHEMBL27085641 | 0.64 | TSHR (0.37) | CES2CES1ESR1ESR2HPGD |
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-112409118-A | Method for electrochemically synthesizing trans-4- (trans-4' -alkylcyclohexyl) cyclohexyl vinyl liquid crystal monomer | 惠泽化学科技(濮阳)有限公司 | 2021-02-26 | — | — | CN | disclosed |