Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.33 |
| ▸ | LCK | P06239 | 2/20 | 0.32 |
| ▸ | KIT | P10721 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1935409 | 0.84 | CYP2C8 (0.38) | CYP2C8KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL2431980 | 0.84 | CYP2C8 (0.38) | CYP2C8KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL2468512 | 0.84 | MAPK14 (0.39) | CYP2C8KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL17530686 | 0.84 | CYP3A4 (0.33) | CYP2C8KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2409322 | 0.84 | CYP2C8 (0.38) | CYP2C8KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL1934988 | 0.80 | CYP2C8 (0.57) | CYP2C8KCNH2CYP3A4NR1I2MAPK14 | |
| SCHEMBL12187969 | 0.79 | CYP2C8 (0.56) | CYP2C8KCNH2CYP3A4NR1I2MAPK14 | |
| SCHEMBL17530639 | 0.79 | ALDH1A1 (0.40) | CYP2C8KCNH2CYP3A4NR1I2ALDH1A1 | |
| SCHEMBL1936514 | 0.75 | ALDH1A1 (0.45) | CYP2C8KCNH2CYP3A4NR1I2MAPK14 | |
| SCHEMBL1920481 | 0.74 | CYP2C8 (0.65) | CYP2C8KCNH2CYP3A4NR1I2CYP2C9 |
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-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |