Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 15/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 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 | |
|---|---|---|---|---|
| Pleconaril SCHEMBL49383 | 1.00 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8135235 | 0.96 | NR1I2 (0.92) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874837 | 0.96 | NR1I2 (0.92) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8876306 | 0.94 | NR1I2 (0.88) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874464 | 0.93 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874452 | 0.92 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8877950 | 0.92 | NR1I2 (0.86) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8875252 | 0.91 | NR1I2 (0.84) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8875401 | 0.91 | NR1I2 (0.84) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL13623352 | 0.91 | NR1I2 (0.83) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1998759-A2 | COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO | SCHERING CORPORATION (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007111866-A2 | COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO | SCHERING CORPORATION (US) | 2007-10-04 | — | — | WO | disclosed |