Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PRCP | P42785 | 2/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14553274 | 0.93 | CYP3A4 (0.57) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15944598 | 0.84 | CYP3A4 (0.69) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL22067747 | 0.84 | CYP3A4 (0.72) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL2708483 | 0.84 | CYP3A4 (0.70) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL205739 | 0.84 | CYP3A4 (0.70) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15260592 | 0.84 | CYP3A4 (0.70) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15274559 | 0.83 | CYP3A4 (0.69) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL19339447 | 0.82 | CYP3A4 (0.44) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL19339446 | 0.82 | CYP3A4 (0.57) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15260589 | 0.82 | CYP3A4 (0.63) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2499132-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-02-15 | — | — | EP | disclosed |