Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 3/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15058555 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19323278 | 0.93 | CYP3A4 (0.64) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15346254 | 0.93 | CYP3A4 (0.64) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15060446 | 0.89 | CYP2C9 (0.53) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15058631 | 0.89 | CYP2C9 (0.53) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL14793304 | 0.88 | CYP3A4 (0.69) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12098734 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12098424 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL6120570 | 0.87 | CYP3A4 (0.53) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19323655 | 0.86 | CYP3A4 (0.56) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013095275-A1 | NOVEL HEPATITIS C VIRUS INHIBITORS | MEDIVIR AB (SE) | 2013-06-27 | — | — | WO | disclosed |