Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 9/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14485855 | 0.83 | PKM (0.53) | NFE2L2GAANAMPTKEAP1PTGS1 | |
| SCHEMBL31352975 | 0.75 | MTNR1B (0.56) | NFE2L2KEAP1MTNR1BALDH1A1 | |
| SCHEMBL3151230 | 0.75 | MTNR1B (0.56) | NFE2L2KEAP1MTNR1BALDH1A1 | |
| SCHEMBL3888075 | 0.75 | HTR6 (0.51) | NFE2L2GAA | |
| SCHEMBL3885920 | 0.74 | HTR6 (0.54) | NFE2L2GAACYP11B1CYP11B2NAMPT | |
| SCHEMBL3899853 | 0.73 | HASPIN (0.46) | NFE2L2GAA | |
| SCHEMBL14486062 | 0.72 | COMT (0.50) | GAAALDH1A1 | |
| SCHEMBL17615769 | 0.72 | NFE2L2 (0.43) | NFE2L2GAACYP11B1CYP11B2NAMPT | |
| SCHEMBL14486083 | 0.71 | NAMPT (0.44) | NAMPTALDH1A1 | |
| SCHEMBL28499568 | 0.71 | NFE2L2 (0.47) | NFE2L2GAAFEN1KEAP1ALDH1A1 |
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-2013005157-A1 | SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |