Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHOC | P08134 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PREP | P48147 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL845229 | 0.93 | RHOC (0.48) | RHOCRHOANPC1CYP2C19LMNA | |
| SCHEMBL844890 | 0.87 | KCNH2 (0.51) | NPC1KCNH2CYP2C19LMNAPOLB | |
| SCHEMBL845340 | 0.87 | ALDH1A1 (0.43) | RHOCRHOANPC1CYP2C19LMNA | |
| SCHEMBL844961 | 0.86 | RHOC (0.43) | RHOCRHOANPC1CYP2C19LMNA | |
| SCHEMBL845478 | 0.84 | NPC1 (0.43) | RHOCRHOANPC1KCNH2CYP2C19 | |
| SCHEMBL845461 | 0.81 | PREP (0.44) | RHOCRHOANPC1KCNH2CYP2C19 | |
| SCHEMBL845300 | 0.79 | CYP2C9 (0.54) | RHOCRHOAKCNH2CYP2C19CYP2C9 | |
| SCHEMBL845774 | 0.78 | CYP2C19 (0.49) | NPC1CYP2C19LMNAPOLBCYP2C9 | |
| SCHEMBL844934 | 0.78 | RHOC (0.51) | RHOCRHOANPC1CYP2C19PREP | |
| SCHEMBL845488 | 0.77 | CYP2C19 (0.48) | NPC1KCNH2CYP2C19LMNAPOLB |
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 3 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 |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |