Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3395604 | 0.99 | KCNH2 (0.43) | KCNH2CYP19A1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL3393142 | 0.90 | CYP19A1 (0.41) | KCNH2CYP19A1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL3432960 | 0.89 | KCNH2 (0.43) | KCNH2CYP19A1CYP11B2CYP11B1LRRK2 | |
| Hydrochloric Acid SCHEMBL3432843 | 0.88 | KCNH2 (0.42) | KCNH2CYP11B2CYP11B1LRRK2CYP2C19 | |
| SCHEMBL3427227 | 0.86 | KCNH2 (0.42) | KCNH2CYP11B2CYP11B1LRRK2 | |
| SCHEMBL3396008 | 0.85 | TNIK (0.43) | KCNH2CYP11B2CYP11B1 | |
| SCHEMBL3426389 | 0.85 | KCNH2 (0.43) | KCNH2CYP11B2CYP11B1ALOX15 | |
| SCHEMBL3397552 | 0.84 | KCNH2 (0.43) | KCNH2LRRK2ALDH1A1GSK3AGSK3B | |
| SCHEMBL3392062 | 0.84 | KCNH2 (0.54) | KCNH2LRRK2 | |
| SCHEMBL3394274 | 0.83 | KCNH2 (0.43) | KCNH2ALOX15MAPK1 |
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 |