Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10546476 | 0.84 | NFE2L2 (0.46) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL31350 | 0.79 | NFE2L2 (0.65) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL22692 | 0.79 | NFE2L2 (0.65) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL22693 | 0.79 | NFE2L2 (0.65) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL3221530 | 0.78 | NFE2L2 (0.58) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL10543793 | 0.75 | MAOA (0.40) | NFE2L2CYP3A4MAPK1NPC1MAPT | |
| SCHEMBL10547691 | 0.75 | MAOA (0.40) | NFE2L2CYP1A2CYP3A4MAPT | |
| SCHEMBL10550570 | 0.75 | ALDH1A1 (0.47) | NFE2L2CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL10550056 | 0.74 | SLC6A2 (0.39) | NFE2L2NPC1RAB9APTGS1MAPT | |
| SCHEMBL6382576 | 0.74 | LCK (0.52) | CYP3A4BLMFBP1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015048547-A2 | METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |
| EP-2598483-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |