Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.51 |
| ▸ | CXCL8 | P10145 | 3/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30462451 | 1.00 | KEAP1 (0.54) | KEAP1NFE2L2PTGS2PTGS1CXCL8 | |
| SCHEMBL11230015 | 0.82 | KEAP1 (0.52) | KEAP1NFE2L2PTGS2PTGS1NR3C1 | |
| SCHEMBL28560347 | 0.81 | PTGS2 (0.57) | KEAP1NFE2L2PTGS2PTGS1NR3C1 | |
| SCHEMBL28912996 | 0.81 | LMNA (0.50) | KEAP1NFE2L2PTGS2PTGS1ALDH1A1 | |
| SCHEMBL30462472 | 0.81 | LMNA (0.50) | KEAP1NFE2L2PTGS2PTGS1ALDH1A1 | |
| SCHEMBL3785060 | 0.79 | KEAP1 (0.52) | KEAP1NFE2L2PTGS2PTGS1CXCL8 | |
| SCHEMBL2318350 | 0.76 | PTGS1 (0.61) | KEAP1NFE2L2PTGS2PTGS1NR3C1 | |
| SCHEMBL12990378 | 0.75 | KEAP1 (0.67) | KEAP1NFE2L2PTGS2PTGS1NR3C1 | |
| SCHEMBL13730777 | 0.75 | PTGS2 (0.72) | PTGS2PTGS1CXCL8 | |
| SCHEMBL2760393 | 0.75 | PTGS2 (0.54) | PTGS2PTGS1CXCL8RAPGEF4MAPT |
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-112745237-B | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-20 | — | — | CN | disclosed |
| CN-112745237-A | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-04 | — | — | CN | disclosed |