Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RHOC | P08134 | 1/20 | 0.53 |
| ▸ | RHOA | P61586 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL31722815 | 0.90 | ALDH1A1 (0.60) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL845591 | 0.90 | HCRTR1 (0.49) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL844934 | 0.88 | RHOC (0.51) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL845297 | 0.87 | RHOC (0.48) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL13272445 | 0.86 | HSD11B1 (0.55) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL845229 | 0.85 | RHOC (0.48) | CYP2C9CYP2C19RHOCRHOAALDH1A1 | |
| SCHEMBL845008 | 0.85 | ALDH1A1 (0.54) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL845349 | 0.84 | HCRTR1 (0.53) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL845617 | 0.84 | ALDH1A1 (0.59) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL873200 | 0.84 | RHOC (0.48) | CYP2C9CYP2C19RHOCRHOAALDH1A1 |
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 |