Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
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 | 0.86 | HCAR2 (0.41) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009286 | 0.86 | HCAR2 (0.41) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009198 | 0.84 | HCAR2 (0.38) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009199 | 0.83 | CTSC (0.36) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009187 | 0.81 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009447 | 0.79 | HCAR2 (0.34) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18007457 | 0.78 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2 | |
| SCHEMBL18009455 | 0.78 | DPP4 (0.40) | — | |
| SCHEMBL18009200 | 0.77 | CTSC (0.34) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL7208474 | 0.77 | CHRM2 (0.34) | — |
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 |