Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1051207 | 1.00 | KCNH2 (0.50) | KCNH2CYP3A4CSNK2A1MAPTPOLB | |
| SCHEMBL1051425 | 1.00 | KCNH2 (0.50) | KCNH2CYP3A4CSNK2A1MAPTPOLB | |
| SCHEMBL2068872 | 0.89 | KCNH2 (0.47) | KCNH2CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL1050163 | 0.88 | KCNH2 (0.52) | KCNH2CYP3A4CSNK2A1MAPTPOLB | |
| SCHEMBL1050256 | 0.88 | KCNH2 (0.52) | KCNH2CYP3A4CSNK2A1MAPTPOLB | |
| SCHEMBL1048591 | 0.77 | KCNH2 (0.54) | KCNH2CYP3A4CSNK2A1MAPTKDM4E | |
| SCHEMBL1049863 | 0.76 | KCNH2 (0.49) | KCNH2CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL1052381 | 0.76 | KCNH2 (0.49) | KCNH2CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL20121571 | 0.75 | KCNH2 (0.51) | KCNH2CYP3A4AXL | |
| SCHEMBL20121585 | 0.74 | KCNH2 (0.54) | KCNH2CYP3A4MAPTPOLBKDM4E |
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 |