Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | EP300 | Q09472 | 5/20 | 0.50 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL845539 | 0.97 | HCRTR1 (0.54) | CYP2C9CYP2C19SMN1; SMN2LMNAHPGD | |
| SCHEMBL845290 | 0.92 | HCRTR1 (0.52) | CYP2C9CYP2C19SMN1; SMN2LMNAHPGD | |
| SCHEMBL873577 | 0.91 | LMNA (0.47) | CYP2C9CYP2C19SMN1; SMN2LMNAHPGD | |
| SCHEMBL845000 | 0.89 | RHOC (0.51) | CYP2C9CYP2C19SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL845284 | 0.87 | MAPK1 (0.58) | CYP2C9CYP2C19LMNAALDH1A1MAPK1 | |
| SCHEMBL845629 | 0.87 | TSHR (0.50) | SMN1; SMN2ALDH1A1MAPK1TSHREP300 | |
| SCHEMBL873856 | 0.84 | HCRTR1 (0.45) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL845157 | 0.83 | ALDH1A1 (0.57) | CYP2C9CYP2C19SMN1; SMN2LMNAHPGD | |
| SCHEMBL845641 | 0.82 | MAPK1 (0.53) | CYP2C9CYP2C19LMNAALDH1A1MAPK1 | |
| SCHEMBL13272181 | 0.82 | MAPK1 (0.53) | CYP2C9CYP2C19LMNAALDH1A1MAPK1 |
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 |