Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | TACR3 | P29371 | 4/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12436388 | 0.87 | CYP3A4 (0.37) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17066300 | 0.85 | CYP3A4 (0.45) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL12437654 | 0.84 | CYP3A4 (0.34) | KCNH2CYP3A4CYP2C9CYP1A2OPRK1 | |
| SCHEMBL17066336 | 0.84 | CYP3A4 (0.44) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17166562 | 0.83 | KCNH2 (0.60) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12437632 | 0.82 | CYP3A4 (0.35) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL889343 | 0.81 | CYP3A4 (0.42) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17066342 | 0.81 | CYP3A4 (0.42) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL15125401 | 0.81 | CYP3A4 (0.47) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17066339 | 0.80 | CYP3A4 (0.43) | KCNH2CYP3A4CYP2C9CYP1A2CYP2D6 |
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 |