Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10324617 | 0.93 | CYP2E1 (0.47) | CYP2E1NR1I2 | |
| SCHEMBL10324262 | 0.88 | CYP2E1 (0.44) | CYP2E1NR1I2C5AR1 | |
| SCHEMBL10366310 | 0.86 | CYP2E1 (0.38) | CYP2E1NR1I2C5AR1 | |
| SCHEMBL9975906 | 0.82 | CYP2E1 (0.43) | CYP2E1NR1I2 | |
| SCHEMBL10381443 | 0.79 | CYP2E1 (0.33) | CYP2E1 | |
| SCHEMBL9976063 | 0.79 | NR1I2 (0.45) | CYP2E1NR1I2 | |
| SCHEMBL19402939 | 0.78 | CYP2E1 (0.32) | CYP2E1C5AR1 | |
| SCHEMBL9975843 | 0.78 | NR1I2 (0.44) | CYP2E1NR1I2 | |
| SCHEMBL9975886 | 0.78 | NR1I2 (0.44) | CYP2E1NR1I2 | |
| SCHEMBL9975799 | 0.77 | NR1I2 (0.43) | CYP2E1NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |