Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL6980125 | 0.89 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570425 | 0.84 | ITGB3 (0.52) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL2176484 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570392 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570579 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570423 | 0.80 | HDAC2 (0.43) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL24056571 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7305357 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL24057819 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL12333752 | 0.78 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC |
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 |
|---|---|---|---|---|---|---|---|
| EP-2519506-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-11-07 | — | — | EP | disclosed |