Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PRCP | P42785 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13747597 | 0.95 | CYP3A4 (0.63) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10145003 | 0.93 | CYP3A4 (0.65) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12069123 | 0.92 | KCNH2 (0.50) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL27989787 | 0.92 | CYP3A4 (0.56) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177241 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177242 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10253814 | 0.91 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL691890 | 0.91 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL691891 | 0.91 | CYP3A4 (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL692828 | 0.91 | CYP3A4 (0.57) | 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-2011150243-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2010065668-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |