Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.63 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL15017813 | 0.93 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL625569 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL751668 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL613273 | 0.91 | CYP3A4 (0.74) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL613274 | 0.91 | CYP3A4 (0.74) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL626226 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL14335053 | 0.90 | CYP3A4 (0.66) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL626648 | 0.89 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10024931 | 0.89 | CYP3A4 (0.71) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL749764 | 0.89 | CYP3A4 (0.70) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020036-A1 | HEPATITIS C VIRUS INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | claimed |
| WO-2012020036-A1 | HEPATITIS C VIRUS INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |