Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219638 | 0.96 | CYP3A4 (0.45) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL11289917 | 0.81 | CYP2D6 (0.46) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL7075474 | 0.79 | EIF4A1 (0.49) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL8553165 | 0.79 | CYP2D6 (0.46) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL7225209 | 0.79 | KCNH2 (0.43) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL7221372 | 0.76 | CYP2D6 (0.46) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL8556340 | 0.76 | KCNH2 (0.45) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL7219634 | 0.76 | CYP2D6 (0.43) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL7227252 | 0.75 | CYP2D6 (0.64) | CYP3A4MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL22645629 | 0.74 | KCNH2 (0.49) | CYP3A4MAPTSMN1; SMN2HTTMEN1 |
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 |