Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL18009187 | 0.88 | HCAR2 (0.36) | HCAR2KEAP1NFE2L2CHRNB2CHRNA4 | |
| SCHEMBL18009286 | 0.88 | HCAR2 (0.41) | HCAR2KEAP1NFE2L2CTSCCYP1A2 | |
| SCHEMBL18009201 | 0.86 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009198 | 0.85 | HCAR2 (0.38) | HCAR2KEAP1NFE2L2CHRNB2CHRNA4 | |
| SCHEMBL27363554 | 0.84 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18009191 | 0.82 | CTSC (0.40) | CTSCPIM1KDM4EALDH1A1MAPT | |
| SCHEMBL18009199 | 0.81 | CTSC (0.36) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL18009447 | 0.80 | HCAR2 (0.34) | HCAR2KEAP1NFE2L2CTSC | |
| SCHEMBL9641197 | 0.80 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18009455 | 0.79 | DPP4 (0.40) | — |
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 |