Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | HPGD | P15428 | 2/20 | 0.75 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.75 |
| ▸ | CASP3 | P42574 | 10/20 | 0.66 |
| ▸ | CASP2 | P42575 | 2/20 | 0.61 |
| ▸ | CASP7 | P55210 | 2/20 | 0.61 |
| ▸ | CASP6 | P55212 | 2/20 | 0.61 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.61 |
| ▸ | TERT | O14746 | 2/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 3/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22033208 | 0.84 | KDM4E (0.92) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL11724038 | 0.83 | KDM4E (0.90) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL6260497 | 0.79 | CASP3 (0.86) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL6261709 | 0.78 | CASP3 (0.68) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL5947099 | 0.78 | KDM4E (0.71) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL13442874 | 0.76 | CASP3 (1.00) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| Hydrochloric Acid SCHEMBL15062385 | 0.76 | LTA4H (0.60) | ALDH1A1HDAC1HDAC6 | |
| SCHEMBL10917830 | 0.75 | KDM4E (0.63) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL22078606 | 0.75 | KDM4E (0.74) | KDM4EALDH1A1HPGDALOX12CASP3 | |
| SCHEMBL4462900 | 0.75 | KDM4E (0.66) | KDM4EALDH1A1HPGDALOX12CASP3 |
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-115010642-B | Beta-elemene imide derivative and application thereof | 沈阳药科大学 | 2023-05-26 | — | — | CN | disclosed |
| CN-115010642-A | Beta-elemene imide derivatives and application thereof | 沈阳药科大学 | 2022-09-06 | — | — | CN | disclosed |