Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | PLK1 | P53350 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | WNK1 | Q9H4A3 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28626832 | 0.84 | CYP2C19 (0.52) | CYP2C19PLK1ALDH1A1MAPK1MAPT | |
| SCHEMBL28628613 | 0.76 | PLK1 (0.43) | CYP2C19PLK1ALDH1A1MAPK1MAPT | |
| SCHEMBL28630187 | 0.74 | HTR6 (0.42) | CYP2C19PLK1ALDH1A1MAPK1MAPT | |
| SCHEMBL28641845 | 0.73 | HRAS (0.41) | CYP2C19PLK1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL23093735 | 0.72 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| SCHEMBL29655735 | 0.72 | CYP2C19 (0.72) | CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28505022 | 0.72 | CYP2C19 (0.71) | CYP2C19KCNH2 | |
| SCHEMBL28496780 | 0.71 | PLK1 (0.47) | CYP2C19PLK1ALDH1A1MAPK1MAPT | |
| SCHEMBL7185722 | 0.70 | PKM (0.65) | ALDH1A1MAPK1MAPTL3MBTL1POLB | |
| SCHEMBL28507252 | 0.68 | PLK1 (0.45) | CYP2C19PLK1ALDH1A1MAPK1MAPT |
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-108947952-B | 2-substituted amino-5-trifluoromethyl-8-nitrobenz (thio) pyran-4-ketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2021-09-21 | — | — | CN | disclosed |