Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | EP300 | Q09472 | 2/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13272181 | 1.00 | MAPK1 (0.53) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL10119619 | 0.91 | MAPK1 (0.46) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845284 | 0.91 | MAPK1 (0.58) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845290 | 0.84 | HCRTR1 (0.52) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845643 | 0.83 | MAPK1 (0.50) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL874313 | 0.83 | MAPK1 (0.50) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845312 | 0.82 | GAA (0.60) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845002 | 0.82 | CYP2C9 (0.55) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845008 | 0.82 | ALDH1A1 (0.54) | MAPK1CYP2C9CYP2C19ALDH1A1HTT | |
| SCHEMBL845021 | 0.82 | ALDH1A1 (0.53) | MAPK1CYP2C9CYP2C19ALDH1A1HTT |
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 |