Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL881022 | 0.90 | PRKCA (0.36) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881012 | 0.87 | NR1I2 (0.53) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881055 | 0.86 | NR1I2 (0.52) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL880999 | 0.84 | NR1I2 (0.56) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL880967 | 0.84 | NR1I2 (0.56) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881078 | 0.83 | NR1I2 (0.57) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881079 | 0.83 | NR1I2 (0.58) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881016 | 0.83 | NR1I2 (0.55) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL881006 | 0.83 | NR1I2 (0.55) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 | |
| SCHEMBL880940 | 0.82 | NR1I2 (0.64) | NR1I2KCNH2CYP3A4SCN5ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2178878-B1 | TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2009023487-A1 | TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-19 | — | — | WO | disclosed |