Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | PRCP | P42785 | 8/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL932660 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL913022 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL934913 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL932493 | 0.86 | CYP3A4 (0.66) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12098285 | 0.86 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL933610 | 0.85 | PRCP (0.45) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| Trifluoroacetic Acid SCHEMBL933749 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1882902 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12173700 | 0.83 | CYP3A4 (0.73) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL932639 | 0.83 | CYP3A4 (0.68) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 |
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-2011004276-A1 | HEPATITIS C VIRUS INHIBITORS | PFIZER LIMITED (GB) | 2011-01-13 | — | — | WO | disclosed |