Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28617789 | 1.00 | CYP1A2 (0.52) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL28360102 | 1.00 | CYP1A2 (0.52) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL28466386 | 0.94 | EPHX2 (0.47) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL28375453 | 0.93 | EPHX2 (0.49) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL29286860 | 0.88 | MEN1 (0.46) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL28526239 | 0.88 | MEN1 (0.46) | CYP1A2EPHX2DGKAKMT2AMEN1 | |
| SCHEMBL11579370 | 0.88 | DGKA (0.54) | EPHX2DGKAKMT2AMEN1TSHR | |
| SCHEMBL6417620 | 0.88 | DGKA (0.54) | EPHX2DGKAKMT2AMEN1TSHR | |
| SCHEMBL2922616 | 0.88 | DGKA (0.54) | EPHX2DGKAKMT2AMEN1TSHR | |
| SCHEMBL2845276 | 0.88 | MEN1 (0.50) | CYP1A2EPHX2DGKAKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113527405-B | Application of hederagenin polyethylene glycol modified derivative in preparation of tumor drug resistance reversal agent | 烟台大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-113527405-A | Application of hederagenin polyethylene glycol modified derivative in preparation of tumor drug resistance reversal agent | 烟台大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-113234117-A | Hederagenin C-28 polyethylene glycol modified derivative and preparation method thereof | 烟台大学 | 2021-08-10 | — | — | CN | disclosed |