Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7144401 | 0.79 | ADORA3 (0.53) | AHRCYP11B2ADORA3ADORA1ADORA2A | |
| SCHEMBL7487566 | 0.78 | KDM4E (0.40) | AHRCYP11B2ADORA3ADORA1ADORA2A | |
| SCHEMBL6863099 | 0.75 | ADORA2A (0.45) | MAP3K5ADORA3ADORA1ADORA2A | |
| SCHEMBL7152951 | 0.74 | ADORA2A (0.56) | ADORA3ADORA1ADORA2A | |
| SCHEMBL2772772 | 0.73 | NUDT1 (0.65) | MAP3K5ADORA1ADORA2ANUDT1FYN | |
| SCHEMBL7151749 | 0.73 | ALDH1A1 (0.49) | CYP11B2ADORA3MEN1CYP1A2KMT2A | |
| SCHEMBL6871806 | 0.72 | ADORA2A (0.42) | ADORA3ADORA1ADORA2A | |
| SCHEMBL6869842 | 0.71 | PLAU (0.48) | MAP3K5ADORA2AMEN1KMT2AHSD17B10 | |
| SCHEMBL6869244 | 0.70 | ADORA2A (0.67) | ADORA2A | |
| SCHEMBL6871623 | 0.69 | ADORA2A (0.67) | ADORA2A |
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 |