Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | F9 | P00740 | 3/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2464955 | 0.94 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL2464836 | 0.88 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL13241638 | 0.85 | CYP2C8 (0.59) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL1937126 | 0.84 | CYP2C8 (0.63) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL9911902 | 0.81 | CYP2C8 (0.62) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL667045 | 0.81 | CYP2C8 (0.59) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL2463689 | 0.80 | CYP2C8 (0.46) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL1935064 | 0.79 | CYP2C8 (0.46) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL1934831 | 0.79 | CYP2C8 (0.61) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 | |
| SCHEMBL1934988 | 0.78 | CYP2C8 (0.57) | CYP2C8CYP3A4KCNH2NR1I2ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010030538-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |