Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12567626 | 0.91 | CYP3A4 (0.65) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL16509239 | 0.90 | CYP3A4 (0.67) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19618656 | 0.87 | KCNH2 (0.53) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19618653 | 0.87 | KCNH2 (0.53) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL3347975 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL4523158 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL12188233 | 0.86 | CYP3A4 (0.71) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL17897804 | 0.86 | CYP3A4 (0.71) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL27133901 | 0.86 | CYP3A4 (0.71) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL1357391 | 0.85 | KCNH2 (0.46) | 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 |
|---|---|---|---|---|---|---|---|
| US-9820972-B2 | Antiviral compounds highly effective as HCV-NS5A inhibitor | AB Pharma Ltd. (CN) | 2017-11-21 | — | — | US | disclosed |