Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480280 | 0.80 | ADORA2A (0.59) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7708740 | 0.77 | ADORA2A (0.57) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7709150 | 0.77 | ADORA2A (0.54) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7432234 | 0.76 | ADORA2A (0.56) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7153750 | 0.76 | ADORA2A (0.71) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7148133 | 0.76 | ADORA2A (0.41) | ADORA2AADORA1KDM4EALDH1A1MEN1 | |
| SCHEMBL7708573 | 0.76 | ADORA2A (0.52) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7705947 | 0.74 | ADORA2A (0.54) | ADORA2AKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL7144401 | 0.73 | ADORA3 (0.53) | ADORA2AADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL7709012 | 0.73 | ADORA2A (0.49) | ADORA2AKDM4EALDH1A1MEN1KMT2A |
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-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |