Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL15760176 | 1.00 | KCNH2 (0.72) | KCNH2CYP3A4MLNRTP53GAA | |
| SCHEMBL20121554 | 0.96 | KCNH2 (0.68) | KCNH2CYP3A4MLNRP2RX7 | |
| SCHEMBL20121576 | 0.96 | KCNH2 (0.78) | KCNH2CYP3A4MLNRMEN1ALDH1A1 | |
| SCHEMBL17636399 | 0.96 | KCNH2 (0.78) | KCNH2CYP3A4MLNRMEN1ALDH1A1 | |
| SCHEMBL20121613 | 0.96 | KCNH2 (0.78) | KCNH2CYP3A4MLNRMEN1ALDH1A1 | |
| SCHEMBL12952261 | 0.92 | KCNH2 (0.73) | KCNH2CYP3A4MLNRTP53GAA | |
| SCHEMBL12952248 | 0.92 | KCNH2 (0.75) | KCNH2CYP3A4MLNRMEN1ALDH1A1 | |
| SCHEMBL20121603 | 0.92 | KCNH2 (0.78) | KCNH2CYP3A4MLNRMEN1ALDH1A1 | |
| SCHEMBL12952250 | 0.92 | KCNH2 (0.75) | KCNH2CYP3A4 | |
| SCHEMBL20121610 | 0.91 | KCNH2 (0.70) | KCNH2CYP3A4MLNR |
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 |