Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PEPD | P12955 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057200 | 0.79 | KEAP1 (0.39) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL3013647 | 0.76 | KEAP1 (0.37) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL2129176 | 0.75 | KEAP1 (0.36) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL5161272 | 0.73 | ALDH1A1 (0.35) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL11812881 | 0.73 | CYP1A2 (0.39) | KEAP1NFE2L2EPHX1 | |
| SCHEMBL28714523 | 0.72 | ALDH1A1 (0.34) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL27489829 | 0.71 | KDM4E (0.39) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL4617654 | 0.71 | KEAP1 (0.51) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL8846296 | 0.70 | KEAP1 (0.45) | KEAP1NFE2L2GRM2GRM3ALDH1A1 | |
| SCHEMBL66869 | 0.70 | KEAP1 (0.45) | KEAP1NFE2L2GRM2GRM3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005298337-A | METHOD FOR PRODUCING β-HYDROXYAMINO ACID DERIVATIVE AND INTERMEDIATE OF THE SAME | ONO PHARMACEUT CO LTD | 2005-10-27 | — | — | JP | disclosed |