Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 7/20 | 0.68 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.68 |
| ▸ | SQSTM1 | Q13501 | 2/20 | 0.68 |
| ▸ | STAT3 | P40763 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | CKS1B | P61024 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29540814 | 1.00 | KEAP1 (0.68) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL29540501 | 0.96 | KEAP1 (0.67) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL29540900 | 0.91 | STAT3 (0.72) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL29540848 | 0.88 | KEAP1 (0.54) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL22233905 | 0.88 | KEAP1 (0.54) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL29892350 | 0.85 | KEAP1 (0.83) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL26089402 | 0.82 | KEAP1 (1.00) | KEAP1NFE2L2SQSTM1ALDH1A1LMNA | |
| SCHEMBL29892935 | 0.82 | KEAP1 (0.81) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL31106385 | 0.81 | KEAP1 (0.71) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 | |
| SCHEMBL31106386 | 0.81 | KEAP1 (0.71) | KEAP1NFE2L2SQSTM1STAT3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020150446-A1 | SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-07-23 | — | — | WO | disclosed |