Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 10/20 | 0.89 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12034683 | 1.00 | NR1I2 (0.89) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL29351486 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL12034558 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL11951525 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL14009910 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL14009930 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL14878708 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL5620386 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL29455919 | 0.94 | NR1I2 (1.00) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| Beclabuvir SCHEMBL16697163 | 0.94 | NR1I2 (0.99) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 |
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-2009067108-A1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-28 | — | — | WO | disclosed |