Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | KIT | P10721 | 3/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2431980 | 0.94 | CYP2C8 (0.38) | CYP2C8CYP3A4KCNH2NR1I2MEN1 | |
| SCHEMBL2409322 | 0.87 | CYP2C8 (0.38) | CYP2C8CYP3A4KCNH2NR1I2MEN1 | |
| SCHEMBL1937059 | 0.84 | CYP2C8 (0.36) | CYP2C8CYP3A4KCNH2NR1I2MEN1 | |
| SCHEMBL1936681 | 0.84 | CYP2C8 (0.40) | CYP2C8CYP3A4KCNH2NR1I2MEN1 | |
| SCHEMBL2464836 | 0.80 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL13241638 | 0.79 | CYP2C8 (0.59) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL1920481 | 0.76 | CYP2C8 (0.65) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL17530686 | 0.74 | CYP3A4 (0.33) | CYP2C8CYP3A4KCNH2 | |
| SCHEMBL2464955 | 0.74 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL1936514 | 0.73 | ALDH1A1 (0.45) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 |
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-2331502-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010030538-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |