Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 8/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14009712 | 0.93 | NR1I2 (0.46) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL14009597 | 0.90 | KCNH2 (0.57) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL14009657 | 0.83 | KCNH2 (0.44) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL3943346 | 0.83 | PRKCA (0.46) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL895975 | 0.81 | PRKCA (0.49) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL5528023 | 0.80 | PRKCA (0.47) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL14009596 | 0.80 | NR1I2 (0.58) | NR1I2KCNH2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL2277325 | 0.80 | PRKCA (0.46) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL894723 | 0.80 | PRKCA (0.48) | PRKCAMMP12NR1I2KCNH2CYP3A4 | |
| SCHEMBL5002450 | 0.80 | PRKCA (0.54) | PRKCAMMP12NR1I2KCNH2CYP3A4 |
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-2029606-B1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2010-05-26 | — | — | EP | disclosed |