Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15932316 | 0.81 | GAA (0.40) | ALDH1A1KDM4EPKMALOX5APFEN1 | |
| SCHEMBL18299986 | 0.79 | KIF11 (0.38) | KIF11KDM4EHSD17B10S1PR1ESR1 | |
| SCHEMBL16629544 | 0.79 | TNF (0.40) | KIF11HSD17B10S1PR1ESR1TNF | |
| SCHEMBL2431133 | 0.78 | S1PR1 (0.38) | KIF11KDM4EHSD17B10S1PR1ESR1 | |
| SCHEMBL18299868 | 0.78 | AHR (0.46) | KIF11ALDH1A1KDM4EHSD17B10PKM | |
| SCHEMBL15388774 | 0.76 | AHR (0.47) | ALDH1A1BACE1ALOX5APFEN1GFER | |
| SCHEMBL16815127 | 0.74 | IKBKB (0.35) | ALOX5APFEN1GFERTNFRIPK1 | |
| SCHEMBL2428320 | 0.74 | CYP2A6 (0.35) | KIF11KDM4EHSD17B10BACE1S1PR1 | |
| SCHEMBL18299451 | 0.74 | MPO (0.36) | KIF11KDM4EHSD17B10S1PR1ESR1 | |
| SCHEMBL18299898 | 0.74 | KIF11 (0.35) | KIF11HSD17B10BACE1S1PR1ESR1 |
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-118359634-A | Pyrazole derivative and medical use thereof | 正大天晴药业集团股份有限公司 | 2024-07-19 | — | — | CN | disclosed |