Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13426080 | 0.91 | KCNH2 (0.58) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13426140 | 0.89 | KCNH2 (0.49) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13425528 | 0.89 | KCNH2 (0.61) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL3395602 | 0.88 | KCNH2 (0.60) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13426665 | 0.86 | KCNH2 (0.45) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13426078 | 0.86 | CYP1A2 (0.48) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3393337 | 0.84 | KCNH2 (0.58) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13425719 | 0.79 | KCNH2 (0.57) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13426154 | 0.79 | KCNH2 (0.68) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL13425782 | 0.79 | KCNH2 (0.63) | KCNH2CLK4ALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |