Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708919 | 0.89 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2BMAPT | |
| SCHEMBL7708996 | 0.87 | ADORA3 (0.51) | ADORA2AADORA3ADORA1ADORA2BTHRB | |
| SCHEMBL7703042 | 0.87 | ADORA2A (0.52) | ADORA2ATHRBMAPT | |
| SCHEMBL7431721 | 0.83 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2BTHRB | |
| SCHEMBL6870639 | 0.83 | ADORA2A (0.59) | ADORA2AADORA3ADORA1ADORA2BTHRB | |
| SCHEMBL7709135 | 0.80 | ADORA2A (0.58) | ADORA2ASMN1; SMN2 | |
| SCHEMBL7544601 | 0.80 | ADORA2A (0.58) | ADORA2ASMN1; SMN2 | |
| SCHEMBL7484688 | 0.78 | THRB (0.52) | ADORA2AADORA3ADORA1ADORA2BTHRB | |
| SCHEMBL9325947 | 0.78 | ADORA2A (0.77) | ADORA2AADORA3ADORA1ADORA2BSMN1; SMN2 | |
| SCHEMBL23963132 | 0.77 | ADORA2A (0.56) | ADORA2AADORA3ADORA1 |
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 |