Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL28361570 | 0.85 | CES2 (0.50) | CES2CES1BCHEALDH1A1ALOX15 | |
| SCHEMBL1885454 | 0.84 | CES2 (0.47) | CES2CES1ALDH1A1ALOX15HDAC4 | |
| SCHEMBL27485982 | 0.81 | CES2 (0.50) | CES2CES1BCHEALDH1A1ALOX15 | |
| SCHEMBL5085041 | 0.79 | CES2 (0.45) | CES2CES1BCHEALDH1A1GLS | |
| SCHEMBL2056733 | 0.76 | CES2 (0.43) | CES2CES1BCHEALDH1A1GLS | |
| SCHEMBL28102710 | 0.74 | CES2 (0.46) | CES2CES1BCHEGLS | |
| SCHEMBL6405941 | 0.73 | CES2 (0.44) | CES2CES1BCHEGLS | |
| SCHEMBL23972274 | 0.71 | CES2 (0.66) | CES2CES1BCHEGLSALB | |
| SCHEMBL1668558 | 0.71 | CES2 (0.66) | CES2CES1BCHEGLSALB | |
| SCHEMBL4664137 | 0.71 | CES2 (0.43) | CES2CES1BCHEGLSERN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105777740-B | Preparation method of isavuconazole | 苏州金点生物科技有限公司 | 2018-03-27 | — | — | CN | claimed |
| CN-105777740-A | Preparation method of isavuconazole and isavuconazole prepared by same | 刘可 | 2016-07-20 | — | — | CN | claimed |
| CN-108452848-A | A kind of catalyst | 苏州金点生物科技有限公司 | 2018-08-28 | — | — | CN | disclosed |
| CN-105777740-B | Preparation method of isavuconazole | 苏州金点生物科技有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-105777740-A | Preparation method of isavuconazole and isavuconazole prepared by same | 刘可 | 2016-07-20 | — | — | CN | disclosed |