Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20121548 | 0.94 | KCNH2 (0.80) | KCNH2CYP3A4KCNK3MLNR | |
| SCHEMBL12952183 | 0.91 | KCNH2 (0.62) | KCNH2CYP3A4KCNK3CSNK1DCSNK1E | |
| SCHEMBL12952198 | 0.90 | KCNH2 (0.74) | KCNH2CYP3A4KCNK3MLNR | |
| SCHEMBL12952175 | 0.90 | KCNH2 (0.76) | KCNH2CYP3A4KCNK3 | |
| SCHEMBL20121545 | 0.89 | KCNH2 (0.75) | KCNH2CYP3A4KCNK3MLNR | |
| SCHEMBL20121599 | 0.86 | KCNH2 (0.68) | KCNH2CYP3A4CSNK1DCSNK1EMLNR | |
| SCHEMBL2068773 | 0.86 | KCNH2 (0.66) | KCNH2 | |
| SCHEMBL12951888 | 0.86 | KCNH2 (0.82) | KCNH2CYP3A4KCNK3 | |
| SCHEMBL1051508 | 0.85 | KCNH2 (0.81) | KCNH2CYP3A4KCNK3 | |
| SCHEMBL12951891 | 0.85 | KCNH2 (0.81) | KCNH2CYP3A4KCNK3CSNK1DCSNK1E |
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 |
|---|---|---|---|---|---|---|---|
| US-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |