Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 12/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703121 | 0.89 | ADORA2A (0.62) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL7431721 | 0.86 | ADORA2A (0.56) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL7703042 | 0.83 | ADORA2A (0.52) | ADORA2AMAPT | |
| SCHEMBL7708996 | 0.83 | ADORA3 (0.51) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL6047269 | 0.81 | ADORA2A (0.63) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL6047324 | 0.80 | ADORA2A (0.61) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL6047265 | 0.80 | ADORA2A (0.61) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| Hydrochloric Acid SCHEMBL6047292 | 0.80 | ADORA2A (0.61) | ADORA2AADORA1ADORA3 | |
| SCHEMBL7478262 | 0.79 | ADORA2A (0.56) | ADORA2AMAPT | |
| SCHEMBL6047307 | 0.79 | ADORA2A (0.61) | ADORA2AADORA1ADORA3ADORA2BMAPT |
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-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |