Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853641 | 0.85 | KDM4E (0.40) | CYP4F2CYP4A11ALDH1A1GAAGSK3B | |
| SCHEMBL31474424 | 0.82 | ALDH1A1 (0.49) | ALDH1A1GAAGSK3BKDM4EHPGD | |
| SCHEMBL8853244 | 0.81 | KDM4E (0.43) | ALDH1A1GAASMN1; SMN2GSK3BKDM4E | |
| SCHEMBL472072 | 0.81 | KDM4E (0.39) | CYP4F2CYP4A11ALDH1A1GAAGSK3B | |
| Bicarbonate SCHEMBL29212760 | 0.80 | KDM4E (0.46) | ALDH1A1GAAGSK3BKDM4EHPGD | |
| SCHEMBL11576353 | 0.79 | ALDH1A1 (0.43) | ALDH1A1GAACYP1A2GSK3BKDM4E | |
| SCHEMBL166776 | 0.79 | ELANE (0.43) | ALDH1A1GAAGSK3BKDM4EHPGD | |
| SCHEMBL29699198 | 0.79 | ELANE (0.43) | ALDH1A1GAAGSK3BKDM4EHPGD | |
| SCHEMBL2508510 | 0.78 | NR1H2 (0.47) | ALDH1A1GAAALOX5GSK3BKDM4E | |
| SCHEMBL29699286 | 0.78 | NR1H2 (0.47) | ALDH1A1GAAALOX5GSK3BKDM4E |
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-109553611-A | The preparation method and purposes of Rivaroxaban intermediate | 齐鲁制药有限公司 | 2019-04-02 | — | — | CN | claimed |