Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18009276 | 0.88 | HCAR2 (0.41) | HCAR2KEAP1NFE2L2CYP2D6ALOX15 | |
| SCHEMBL18009201 | 0.86 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009198 | 0.85 | HCAR2 (0.38) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009187 | 0.82 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009199 | 0.81 | CTSC (0.36) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009447 | 0.80 | HCAR2 (0.34) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009455 | 0.79 | DPP4 (0.40) | — | |
| SCHEMBL18009191 | 0.79 | CTSC (0.40) | CTSC | |
| SCHEMBL18009452 | 0.79 | DPP4 (0.45) | CYP2C19CTSC | |
| SCHEMBL20446053 | 0.79 | CYP2D6 (0.44) | CYP2D6ALOX15CYP1A2CYP2C19SLC1A3 |
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 |