Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.33 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.33 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.33 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.33 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.33 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.33 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.33 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.33 |
| ▸ | PSMB6 | P28072 | 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 | |
|---|---|---|---|---|
| SCHEMBL12909551 | 0.80 | CES2 (0.50) | CES2CES1CA3CA6CA5A | |
| SCHEMBL1012686 | 0.79 | CES2 (0.48) | CES2CES1CA3CA6CA5A | |
| SCHEMBL1012685 | 0.79 | CES2 (0.48) | CES2CES1CA3CA6CA5A | |
| SCHEMBL11042341 | 0.70 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL28319857 | 0.70 | CES2 (0.53) | CES2CES1 | |
| SCHEMBL16510004 | 0.69 | CES2 (0.39) | CES2CES1CA3CA6CA5A | |
| SCHEMBL12289224 | 0.66 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL31504503 | 0.66 | PSEN1 (0.42) | CES2CES1CA3CA6CA5A | |
| SCHEMBL12909549 | 0.66 | CES2 (0.61) | CES2CES1CA3CA6CA5A | |
| SCHEMBL3632173 | 0.66 | CES2 (0.46) | CES2CES1CA3CA6CA5A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732605-A | Preparation method of isavuconazole intermediate | 山东亨利医药科技有限责任公司 | 2016-07-06 | — | — | CN | claimed |
| CN-105732605-A | Preparation method of isavuconazole intermediate | 山东亨利医药科技有限责任公司 | 2016-07-06 | — | — | CN | disclosed |