Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7221174 | 0.84 | MAPT (0.45) | ADORA2AADORA1GAAPDE10ATP53 | |
| SCHEMBL7227661 | 0.82 | CYP3A4 (0.44) | GAAPDE10ATP53LMNAKDM4E | |
| SCHEMBL7227494 | 0.80 | ADORA2A (0.67) | ADORA2AADORA1GAATP53LMNA | |
| SCHEMBL7219872 | 0.79 | ADORA2A (0.61) | ADORA2AADORA1GAATP53LMNA | |
| SCHEMBL7218953 | 0.75 | KDM4E (0.39) | ADORA2AADORA1GAATP53LMNA | |
| SCHEMBL3857238 | 0.73 | KDM4E (0.51) | GAATP53LMNAKDM4EHPGD | |
| SCHEMBL7218856 | 0.72 | ELANE (0.43) | GAATP53LMNAKDM4EHPGD | |
| SCHEMBL28192790 | 0.72 | TNKS (0.47) | ADORA2AADORA1GAATP53LMNA | |
| SCHEMBL7219738 | 0.70 | ADORA2A (0.61) | ADORA2AADORA1LMNAKDM4EHPGD | |
| SCHEMBL20304317 | 0.69 | L3MBTL1 (0.44) | GAATP53LMNAKDM4EHPGD |
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 |