Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | FABP4 | P15090 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TERT | O14746 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28854825 | 1.00 | MAPK1 (0.55) | MAPK1FABP4CA1CA2POLB | |
| SCHEMBL29781163 | 0.95 | MAPK1 (0.64) | MAPK1FABP4CA1CA2POLB | |
| SCHEMBL28854782 | 0.95 | MAPK1 (0.64) | MAPK1FABP4CA1CA2POLB | |
| SCHEMBL28854788 | 0.92 | PTPRC (0.49) | MAPK1FABP4CA1CA2CASP3 | |
| SCHEMBL11346483 | 0.84 | SMN1; SMN2 (0.59) | KDM4EALDH1A1HPGDTERT | |
| SCHEMBL11348981 | 0.81 | KMT2A (0.52) | POLBCASP3KDM4EALDH1A1HPGD | |
| SCHEMBL26431444 | 0.80 | ALDH1A1 (0.58) | POLBALDH1A1TERT | |
| SCHEMBL26431809 | 0.79 | ALDH1A1 (0.57) | POLBALDH1A1TERT | |
| SCHEMBL9717451 | 0.78 | MAPK1 (0.85) | MAPK1FABP4CA1CA2POLB | |
| SCHEMBL11348681 | 0.78 | KMT2A (0.51) | CASP3KDM4EALDH1A1HPGDTERT |
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-115010642-A | Beta-elemene imide derivatives and application thereof | 沈阳药科大学 | 2022-09-06 | — | — | CN | disclosed |