Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL7219832 | 0.87 | KCNH2 (0.51) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7219566 | 0.86 | ADORA2A (0.48) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7225014 | 0.85 | ADORA2A (0.63) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7227499 | 0.84 | ADORA2A (0.49) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7220936 | 0.84 | ADORA2A (0.48) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7227085 | 0.83 | ADORA2A (0.46) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7221381 | 0.78 | ADORA2A (0.74) | ADORA2AADORA1KMT2A | |
| SCHEMBL19149168 | 0.78 | TNKS (0.43) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL7225190 | 0.77 | KCNH2 (0.52) | ADORA2AADORA1KCNH2CYP3A4KDM4E | |
| SCHEMBL3952773 | 0.73 | TNKS (0.47) | ADORA2AKDM4ETSHRLMNAHTR1A |
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-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 |