Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007453 | 0.88 | — | — | |
| SCHEMBL18009308 | 0.83 | KEAP1 (0.33) | KEAP1NFE2L2HCAR2ALDH1A1CYP2C19 | |
| SCHEMBL18009208 | 0.81 | HCAR2 (0.35) | KEAP1NFE2L2HCAR2 | |
| SCHEMBL18009464 | 0.77 | MMP2 (0.35) | KEAP1NFE2L2HCAR2ATM | |
| SCHEMBL18007433 | 0.77 | MMP2 (0.35) | KEAP1NFE2L2HCAR2ATM | |
| SCHEMBL18007454 | 0.74 | SMN1; SMN2 (0.34) | ALDH1A1ATML3MBTL1 | |
| SCHEMBL18009465 | 0.72 | — | — | |
| SCHEMBL18009341 | 0.71 | KEAP1 (0.30) | KEAP1NFE2L2HCAR2 | |
| SCHEMBL18009400 | 0.71 | KEAP1 (0.30) | KEAP1NFE2L2HCAR2 | |
| SCHEMBL18009223 | 0.68 | PIK3CD (0.32) | — |
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-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |