Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 11/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL29694491 | 0.81 | — | — | |
| SCHEMBL49997 | 0.81 | — | — | |
| Hydrogen Sulfide SCHEMBL31655513 | 0.79 | NFE2L2 (0.62) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL29108870 | 0.78 | NFE2L2 (0.68) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL19540032 | 0.78 | NFE2L2 (0.68) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL18255133 | 0.78 | NFE2L2 (0.68) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL1759769 | 0.77 | NFE2L2 (0.60) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| Cyanide SCHEMBL28745996 | 0.76 | NFE2L2 (0.58) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL31317689 | 0.75 | NFE2L2 (1.00) | NFE2L2CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL700536 | 0.75 | NFE2L2 (1.00) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| CN-1143964-A | Pyrrolopyridazine derivative | SANKYO CO (JP) | 1997-02-26 | — | — | CN | disclosed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | disclosed |