Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12763890 | 0.86 | AHR (0.44) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL3793079 | 0.81 | AHR (0.50) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL9688985 | 0.78 | AHR (0.47) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL28743531 | 0.74 | AHR (0.43) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL593971 | 0.73 | KDM4E (0.58) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL14832511 | 0.72 | KEAP1 (0.49) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL13930943 | 0.71 | AHR (0.44) | AHRBCHEKDM4E | |
| SCHEMBL6547270 | 0.69 | ALDH1A1 (0.41) | KEAP1KDM4EHSD17B10 | |
| SCHEMBL593512 | 0.69 | AHR (0.50) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL4402791 | 0.69 | AHR (0.46) | AHRNR3C1PGRNR3C2AR |
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 |
|---|---|---|---|---|---|---|---|
| US-20130011923-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |