Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6859933 | 0.84 | ADORA2A (0.48) | ADORA2AADORA1ALDH1A1ADORA2BHTT | |
| SCHEMBL6852717 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ADORA2B | |
| SCHEMBL6852935 | 0.79 | ADORA2A (0.70) | ADORA2AADORA1ADORA2BHTTTDP1 | |
| SCHEMBL6852809 | 0.78 | ADORA2A (0.65) | ADORA2AADORA1ADORA2B | |
| SCHEMBL6858356 | 0.73 | ADORA2A (0.55) | ADORA2AADORA1ADORA2B | |
| SCHEMBL6858354 | 0.73 | ADORA2A (0.55) | ADORA2AADORA1ALDH1A1ADORA2BHTT | |
| SCHEMBL6859709 | 0.72 | ADORA2A (1.00) | ADORA2AADORA1ADORA2B | |
| SCHEMBL6859543 | 0.70 | ADORA2A (0.64) | ADORA2AADORA1ALDH1A1ADORA2B | |
| SCHEMBL6214522 | 0.70 | ADORA2A (0.71) | ADORA2AADORA1ADORA2B | |
| SCHEMBL2565551 | 0.70 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BHTT |
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-6787541-B1 | MOVEMENT DISORDERS, PARKINSON'S DISEASE | VERNALIS RESEARCH LIMITED (GB) | 2004-09-07 | — | — | US | disclosed |