Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL4924092 | 0.80 | ABCB1 (0.44) | ABCB1CYP2C19CYP2C9RIPK1ALDH1A1 | |
| SCHEMBL2764590 | 0.80 | ABCB1 (0.44) | ABCB1CYP2C19CYP2C9RIPK1ALDH1A1 | |
| SCHEMBL14026296 | 0.80 | ABCB1 (0.44) | ABCB1CYP2C19CYP2C9RIPK1ALDH1A1 | |
| SCHEMBL13376471 | 0.80 | ABCB1 (0.44) | ABCB1CYP2C19CYP2C9RIPK1ALDH1A1 | |
| Styrene SCHEMBL5008696 | 0.73 | ALDH1A1 (0.48) | CYP2C19CYP2C9CYP3A4LMNAHTT | |
| Styrene SCHEMBL6903124 | 0.73 | ALDH1A1 (0.48) | CYP2C19CYP2C9CYP3A4LMNAHTT | |
| Chlorobenzene SCHEMBL28079345 | 0.73 | XPO1 (0.40) | CYP2C19CYP2C9CYP3A4ALDH1A1THRB | |
| Benzene SCHEMBL27527850 | 0.72 | THRB (0.36) | CYP2C19CYP2C9CYP3A4LMNAHTT | |
| Phenol SCHEMBL6931537 | 0.72 | THRB (0.40) | CYP2C19CYP2C9CYP3A4ALDH1A1THRB | |
| Toluene SCHEMBL3759688 | 0.72 | THRB (0.40) | CYP2C19CYP2C9CYP3A4LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1901971-A | Cyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC (JP) | 2007-01-24 | — | — | CN | disclosed |