Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 3/20 | 0.31 |
| ▸ | JAK1 | P23458 | 3/20 | 0.31 |
| ▸ | JAK3 | P52333 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12437632 | 0.95 | CYP3A4 (0.35) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15125401 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL17066300 | 0.91 | CYP3A4 (0.45) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL17066336 | 0.90 | CYP3A4 (0.44) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15116915 | 0.88 | CYP3A4 (0.31) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12437654 | 0.88 | CYP3A4 (0.34) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL889343 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12436931 | 0.87 | KCNH2 (0.43) | CYP3A4CYP2C9KCNH2OPRK1CYP1A2 | |
| SCHEMBL17066342 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL15992705 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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-2011091532-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |