Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | PIM1 | P11309 | 3/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL13426043 | 0.86 | KCNH2 (0.43) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL13426713 | 0.86 | BRAF (0.49) | BRAFFYNCYP1A2CLK4CYP3A4 | |
| SCHEMBL13426111 | 0.83 | KCNH2 (0.46) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL13425809 | 0.83 | KCNH2 (0.49) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL13426154 | 0.82 | KCNH2 (0.68) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL3395404 | 0.81 | KCNH2 (0.47) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL13425541 | 0.81 | FYN (0.51) | BRAFFYNPIM1PIM3PIM2 | |
| SCHEMBL13425737 | 0.79 | KCNH2 (0.46) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 | |
| SCHEMBL3433177 | 0.78 | KCNH2 (0.36) | KCNH2BRAFPIM1PIM3PIM2 | |
| SCHEMBL13425783 | 0.77 | KCNH2 (0.40) | KCNH2CYP1A2CLK4CYP3A4ALDH1A1 |
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 |