Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13426360 | 0.88 | NOS2 (0.44) | KCNH2CYP1A2CLK4CYP2C19TSHR | |
| SCHEMBL13426154 | 0.86 | KCNH2 (0.68) | KCNH2CYP1A2CLK4CYP2C19TSHR | |
| SCHEMBL13425533 | 0.86 | KCNH2 (0.45) | KCNH2CYP1A2CLK4CYP2C19TSHR | |
| SCHEMBL13426151 | 0.85 | CYP1A2 (0.47) | KCNH2CYP1A2CLK4CYP2C19TSHR | |
| SCHEMBL13426117 | 0.83 | CYP1A2 (0.47) | CYP1A2CLK4CYP2C19TSHRCYP2D6 | |
| SCHEMBL13426089 | 0.82 | FFAR1 (0.46) | CYP1A2CLK4CYP2C19TSHRCYP2D6 | |
| SCHEMBL13425538 | 0.81 | KCNH2 (0.43) | KCNH2MAPK14ALDH1A1MAPK13MAPK12 | |
| SCHEMBL13426113 | 0.81 | KCNH2 (0.54) | KCNH2CYP1A2CLK4CYP2C19TSHR | |
| SCHEMBL13426803 | 0.81 | CLK4 (0.41) | CYP1A2CLK4CYP2C19TSHRCYP2D6 | |
| SCHEMBL13426191 | 0.81 | CYP1A2 (0.42) | KCNH2CYP1A2CLK4CYP2C19TSHR |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |