Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28849952 | 1.00 | AHR (0.50) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL950718 | 0.80 | HSD17B10 (0.52) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL950722 | 0.80 | HSD17B10 (0.52) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL28849917 | 0.80 | KMT2A (0.49) | NFE2L2FBP1ALOX5PTGS1PTGS2 | |
| SCHEMBL28849918 | 0.80 | KMT2A (0.49) | NFE2L2FBP1ALOX5PTGS1PTGS2 | |
| SCHEMBL24960676 | 0.78 | NFE2L2 (0.50) | NFE2L2PPARGPTGES2FBP1ALOX5 | |
| SCHEMBL4617952 | 0.78 | CYP1A2 (0.52) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL4617948 | 0.78 | CYP1A2 (0.52) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL2130152 | 0.78 | NFE2L2 (0.53) | AHRNFE2L2PPARGCYP1A2HSD17B10 | |
| SCHEMBL31051124 | 0.78 | APP (0.50) | NFE2L2PPARGCYP1A2HSD17B10FBP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105837-B | Synthesis and application of alkenyl sulfonyl-containing molecules | 中国科学院上海有机化学研究所 | 2023-05-12 | — | — | CN | disclosed |
| CN-114105837-A | Synthesis and application of molecules containing alkenyl sulfonyl | 中国科学院上海有机化学研究所 | 2022-03-01 | — | — | CN | disclosed |