Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | GLRA1 | P23415 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | MC3R | P41968 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | GHSR | Q92847 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18343536 | 0.94 | KCNH2 (0.73) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL18343569 | 0.89 | KCNH2 (0.71) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904508 | 0.88 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904381 | 0.88 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL7208062 | 0.88 | KCNH2 (0.69) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12702439 | 0.88 | KCNH2 (0.94) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904847 | 0.87 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL11904428 | 0.87 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12472251 | 0.87 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL12473159 | 0.86 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010144101-A1 | NEXT GENERATION QUINOLOINE METHANOLS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010144102-A1 | PENTAFLUOROSULFANYL ANALOGS OF MEFLOQUINE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) | 2010-12-16 | — | — | WO | disclosed |