Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 11/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001083 | 0.77 | PTPN1 (0.42) | NFE2L2 | |
| SCHEMBL821619 | 0.76 | ALDH1A1 (0.36) | NFE2L2 | |
| SCHEMBL7039420 | 0.75 | NFE2L2 (0.58) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL3647839 | 0.72 | NFE2L2 (0.60) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL8115386 | 0.72 | — | — | |
| SCHEMBL700536 | 0.71 | NFE2L2 (1.00) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL31317689 | 0.71 | NFE2L2 (1.00) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL700537 | 0.71 | NFE2L2 (1.00) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL3300301 | 0.71 | NFE2L2 (0.71) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL28166261 | 0.71 | NFE2L2 (0.52) | NFE2L2CYP1A2CYP3A4CYP2D6PKM |
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-2008118758-A1 | INHIBITORS OF ION CHANNELS | ICAGEN, INC. (GB) | 2008-10-02 | — | — | WO | disclosed |