Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8846296 | 0.86 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1ALDH1A1 | |
| SCHEMBL6483012 | 0.81 | EPHX1 (0.34) | KEAP1NFE2L2CES2CES1 | |
| SCHEMBL30031136 | 0.78 | KEAP1 (0.40) | KEAP1NFE2L2CES2CES1 | |
| SCHEMBL15346128 | 0.75 | EPHX1 (0.50) | KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL5339681 | 0.75 | KEAP1 (0.39) | KEAP1NFE2L2CES2CES1ALDH1A1 | |
| SCHEMBL66869 | 0.72 | KEAP1 (0.45) | KEAP1NFE2L2CES2CES1ALDH1A1 | |
| SCHEMBL10976154 | 0.71 | KEAP1 (0.41) | KEAP1NFE2L2CES2CES1ALDH1A1 | |
| SCHEMBL7871768 | 0.71 | EPHX1 (0.37) | KEAP1NFE2L2CES2CES1ALDH1A1 | |
| SCHEMBL28038044 | 0.71 | PDK1 (0.38) | KEAP1NFE2L2 | |
| SCHEMBL9432704 | 0.70 | KEAP1 (0.34) | KEAP1NFE2L2ALDH1A1 |
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-116466019-A | Quality detection method of inula cappa medicinal material | 贵州百灵企业集团制药股份有限公司 | 2023-07-21 | — | — | CN | disclosed |