Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7225209 | 0.93 | KCNH2 (0.43) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL22645629 | 0.84 | KCNH2 (0.49) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL10175205 | 0.81 | CYP2D6 (0.50) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL10311167 | 0.80 | KCNH2 (0.46) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL7219638 | 0.77 | CYP3A4 (0.45) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL7225213 | 0.76 | CYP3A4 (0.44) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL11289917 | 0.74 | CYP2D6 (0.46) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL8553165 | 0.73 | CYP2D6 (0.46) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL7075474 | 0.73 | EIF4A1 (0.49) | CYP2D6KCNH2CYP3A4ADORA2AADORA1 | |
| SCHEMBL11002119 | 0.72 | MAPT (0.40) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583156-B1 | Particularly adenosine A2A receptors; neurodegenerative disorders; 2,8-bis(trifluoromethyl)-alpha -(3-thienyl)-4-quinolinemethanol | VERNALIS RESEARCH LIMITED (GB) | 2003-06-24 | — | — | US | disclosed |
| EP-1107760-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013681-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |