Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | ME2 | P23368 | 2/20 | 0.39 |
| ▸ | ME1 | P48163 | 2/20 | 0.39 |
| ▸ | ME3 | Q16798 | 2/20 | 0.39 |
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 | 0.96 | KCNH2 (0.72) | KCNH2CYP3A4MLNRP2RX7 | |
| SCHEMBL20121572 | 0.96 | KCNH2 (0.72) | KCNH2CYP3A4MLNRP2RX7 | |
| SCHEMBL20121610 | 0.95 | KCNH2 (0.70) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121560 | 0.94 | KCNH2 (0.63) | KCNH2CYP3A4MLNRP2RX7 | |
| SCHEMBL20121576 | 0.91 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121613 | 0.91 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL17636399 | 0.91 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL12952054 | 0.91 | KCNH2 (0.70) | KCNH2CYP3A4PTGDR2P2RX7 | |
| SCHEMBL12951885 | 0.91 | KCNH2 (0.67) | KCNH2CYP3A4 | |
| SCHEMBL20121570 | 0.90 | KCNH2 (0.64) | 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 |