Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5560780 | 0.91 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5561440 | 0.84 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3048203 | 0.84 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5560995 | 0.84 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5561019 | 0.84 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5566040 | 0.83 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5566933 | 0.83 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5558477 | 0.82 | ADORA2A (0.75) | ADORA2AADORA1ADORA2BADORA3MAPT | |
| SCHEMBL5561416 | 0.82 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5561585 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003043634-A1 | BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-30 | — | — | WO | disclosed |