Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5207598 | 0.78 | MAPT (0.46) | ALDH1A1CA2TSHRCA1TP53 | |
| SCHEMBL2439645 | 0.77 | MAPT (0.41) | ALDH1A1CA2TSHRCA1TP53 | |
| SCHEMBL10771504 | 0.77 | TP53 (0.37) | ALDH1A1CA2TSHRCA1TP53 | |
| SCHEMBL28567295 | 0.75 | TP53 (0.35) | ALDH1A1CA2TSHRCA1TP53 | |
| SCHEMBL248531 | 0.70 | — | — | |
| SCHEMBL9673363 | 0.69 | TUBB1 (0.40) | ALDH1A1TSHRMAPTMAPK1KDM4E | |
| SCHEMBL10773760 | 0.69 | HMGCR (0.41) | CA2TSHRCA1TP53MAPK1 | |
| SCHEMBL1710455 | 0.69 | ALDH1A1 (0.50) | EP300ALDH1A1CA2TSHRCA1 | |
| SCHEMBL1014275 | 0.69 | ALDH1A1 (0.50) | EP300ALDH1A1CA2TSHRCA1 | |
| SCHEMBL10336692 | 0.68 | MAPT (0.45) | ALDH1A1CA2TSHRCA1TP53 |
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-109761968-A | Paeonol with anti-tumor activity and benzoxazine compounds and its preparation method and application | 河南师范大学 | 2019-05-17 | — | — | CN | disclosed |