Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17530622 | 0.91 | ALDH1A1 (0.39) | ALDH1A1NPC1 | |
| SCHEMBL17530686 | 0.90 | CYP3A4 (0.33) | CYP2C8KCNH2CYP3A4 | |
| SCHEMBL1936569 | 0.84 | POLB (0.34) | CYP2C8KCNH2CYP3A4 | |
| SCHEMBL1937048 | 0.84 | CYP2C8 (0.53) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL1936514 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL1935038 | 0.80 | CYP2C8 (0.46) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL17530621 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KCNH2NPC1 | |
| SCHEMBL2466939 | 0.79 | — | — | |
| SCHEMBL1937059 | 0.79 | CYP2C8 (0.36) | ALDH1A1CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL1936405 | 0.76 | CYP2C9 (0.45) | KCNH2CYP3A4 |
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-2331502-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2016-03-02 | — | — | EP | disclosed |