Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.88 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.88 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.88 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.88 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.88 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.80 |
| ▸ | PRCP | P42785 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3343738 | 0.96 | CYP3A4 (0.81) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL3343734 | 0.96 | CYP3A4 (0.81) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12175024 | 0.95 | CYP3A4 (0.85) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL12175169 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531495 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531492 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531497 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL21531496 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL2756027 | 0.94 | CYP3A4 (1.00) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| Daclatasvir SCHEMBL13337981 | 0.94 | CYP3A4 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3321263-A2 | COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Holdings Ireland (CH) | 2018-05-16 | — | — | EP | disclosed |