Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | ME2 | P23368 | 1/20 | 0.41 |
| ▸ | ME1 | P48163 | 1/20 | 0.41 |
| ▸ | ME3 | Q16798 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17636399 | 0.95 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121576 | 0.95 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121554 | 0.95 | KCNH2 (0.68) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121613 | 0.95 | KCNH2 (0.78) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL12951885 | 0.95 | KCNH2 (0.67) | KCNH2CYP3A4GFER | |
| SCHEMBL20121599 | 0.93 | KCNH2 (0.68) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL20121570 | 0.93 | KCNH2 (0.64) | KCNH2CYP3A4MLNR | |
| SCHEMBL12952261 | 0.92 | KCNH2 (0.73) | KCNH2CYP3A4MLNRME2ME1 | |
| SCHEMBL12952248 | 0.91 | KCNH2 (0.75) | KCNH2CYP3A4MLNR | |
| SCHEMBL15760176 | 0.91 | KCNH2 (0.72) | 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 |