Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9739952 | 0.91 | CYP2D6 (0.43) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL9738789 | 0.89 | KCNH2 (0.45) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL9740270 | 0.89 | KCNH2 (0.46) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL9738687 | 0.88 | KCNH2 (0.47) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL11061854 | 0.83 | CYP1A2 (0.42) | CYP2D6CYP3A4TSHRHTTKDM4E | |
| SCHEMBL8941191 | 0.82 | KCNH2 (0.52) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL7288128 | 0.82 | KCNH2 (0.52) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL7278581 | 0.82 | KCNH2 (0.52) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL2791836 | 0.77 | KCNH2 (0.44) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL9738299 | 0.74 | AURKA (0.41) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 |
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-5175297-A | METHYL-QUINOLINE DERIVATIVES AS MEFLOQUIN INTERMEDIATES AND PROCESS FOR PREPARATION THEREOF | ALKALOIDA VEGYESZETI GYAR (HU) | 1992-12-29 | — | — | US | disclosed |