Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555926 | 0.80 | TACR3 (0.41) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8549798 | 0.77 | ADORA2A (0.65) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL7278581 | 0.76 | KCNH2 (0.52) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL7288128 | 0.76 | KCNH2 (0.52) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8941191 | 0.76 | KCNH2 (0.52) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL10311379 | 0.76 | MAPT (0.39) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8577773 | 0.75 | ALDH1A1 (0.34) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL10311377 | 0.73 | GRM5 (0.39) | ADORA2AADORA1ADORA2BMAPT | |
| SCHEMBL13003243 | 0.66 | KDM4E (0.42) | KDM4ELMNATP53CYP1A2HTT | |
| SCHEMBL11932351 | 0.66 | KDM4E (0.42) | KDM4ELMNATP53CYP1A2HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012068560-A2 | 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS | JENRIN DISCOVERY (US) | 2012-05-24 | — | — | WO | disclosed |