Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RHOC | P08134 | 1/20 | 0.42 |
| ▸ | RHOA | P61586 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL845260 | 0.89 | CYP2C9 (0.36) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL845042 | 0.82 | ALDH1A1 (0.47) | CYP2C9CYP2C19NPC1PABPC1ALDH1A1 | |
| SCHEMBL14648056 | 0.81 | NPC1 (0.41) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL845282 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL873200 | 0.80 | RHOC (0.48) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL844934 | 0.79 | RHOC (0.51) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL845341 | 0.79 | CYP2C9 (0.43) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL845405 | 0.79 | TRPV1 (0.46) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL845048 | 0.79 | DGAT1 (0.50) | CYP2C9CYP2C19RHOCRHOANPC1 | |
| SCHEMBL844980 | 0.78 | ALDH1A1 (0.45) | CYP2C9CYP2C19RHOCRHOAPABPC1 |
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 |