Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PRCP | P42785 | 6/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10145421 | 0.93 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL13293234 | 0.90 | CYP3A4 (0.63) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12067941 | 0.90 | CYP3A4 (0.63) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL13292822 | 0.89 | CYP3A4 (0.76) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL13293018 | 0.89 | CYP3A4 (0.76) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177824 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10145580 | 0.88 | CYP3A4 (0.77) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12066446 | 0.87 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12066434 | 0.87 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL13292827 | 0.86 | OPRM1 (0.50) | 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-2010065668-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |