Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2676216 | 0.92 | NFE2L2 (0.56) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL493382 | 0.80 | BPTF (0.44) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL1119433 | 0.74 | ALDH1A1 (0.42) | CYP1A2CYP2D6MAOB | |
| SCHEMBL1396911 | 0.74 | NFE2L2 (0.44) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| Cyclohexane SCHEMBL268585 | 0.74 | NFE2L2 (0.58) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL652509 | 0.71 | NPC1 (0.42) | NFE2L2NPC1RAB9AMAOAMAOB | |
| Cyclohexylamine SCHEMBL7800228 | 0.70 | TP53 (0.45) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL316481 | 0.70 | POLB (0.45) | MAPK1MAOB | |
| SCHEMBL29359478 | 0.70 | — | — | |
| SCHEMBL1574019 | 0.70 | NFE2L2 (0.65) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102123998-A | Isoquinolinone derivatives as nk3 antagonists | LUNDBECK & CO AS H | 2011-07-13 | — | — | CN | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |