Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | REN | P00797 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL845245 | 0.82 | PTPN1 (0.50) | KCNH2PABPC1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL17536099 | 0.80 | ALDH1A1 (0.55) | KCNH2PABPC1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL17536047 | 0.80 | ALDH1A1 (0.55) | KCNH2PABPC1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL844890 | 0.79 | KCNH2 (0.51) | KCNH2PABPC1ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL845251 | 0.79 | PABPC1 (0.50) | PABPC1ALDH1A1CYP2C19CYP2C9GAA | |
| SCHEMBL844899 | 0.75 | NPC1 (0.52) | PABPC1ALDH1A1CYP2C19CYP2C9GAA | |
| SCHEMBL845228 | 0.75 | HCRTR1 (0.49) | PABPC1ALDH1A1CYP2C19CYP2C9GAA | |
| SCHEMBL844894 | 0.75 | CYP2C19 (0.55) | KCNH2ALDH1A1CYP2C19CYP2C9GAA | |
| SCHEMBL844902 | 0.74 | ALDH1A1 (0.47) | PABPC1ALDH1A1CYP2C19CYP2C9GAA | |
| SCHEMBL845203 | 0.74 | CCR1 (0.47) | PABPC1ALDH1A1CYP2C19CYP2C9GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |