Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.55 |
| ▸ | RHOC | P08134 | 1/20 | 0.48 |
| ▸ | RHOA | P61586 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL845263 | 0.94 | ROCK2 (0.51) | ROCK2RHOCRHOANPC1CYP2C9 | |
| SCHEMBL844934 | 0.82 | RHOC (0.51) | ROCK2RHOCRHOANPC1CYP2C9 | |
| SCHEMBL845300 | 0.82 | CYP2C9 (0.54) | ROCK2RHOCRHOACYP2C9CYP2C19 | |
| SCHEMBL845338 | 0.81 | RHOC (0.48) | ROCK2RHOCRHOANPC1CYP2C9 | |
| SCHEMBL845297 | 0.81 | RHOC (0.48) | ROCK2RHOCRHOANPC1CYP2C9 | |
| SCHEMBL845725 | 0.79 | RHOC (0.45) | ROCK2RHOCRHOANPC1CYP2C9 | |
| SCHEMBL873200 | 0.78 | RHOC (0.48) | RHOCRHOANPC1CYP2C9CYP2C19 | |
| SCHEMBL845541 | 0.78 | RHOC (0.49) | RHOCRHOANPC1CYP2C9CYP2C19 | |
| SCHEMBL844884 | 0.78 | HTT (0.48) | RHOCRHOANPC1CYP2C9CYP2C19 | |
| SCHEMBL845229 | 0.77 | RHOC (0.48) | ROCK2RHOCRHOANPC1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |