Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 17/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28491901 | 0.90 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BRXRARXRB | |
| SCHEMBL28499042 | 0.89 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BRXRARXRB | |
| SCHEMBL28491897 | 0.89 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BRXRARXRB | |
| SCHEMBL28499041 | 0.87 | ADORA2A (0.56) | ADORA2AADORA1RXRARXRBRXRG | |
| SCHEMBL28491887 | 0.84 | ADORA2A (0.56) | ADORA2AADORA1ADORA2B | |
| SCHEMBL28513194 | 0.83 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BRXRARXRB | |
| SCHEMBL28497646 | 0.82 | ADORA2A (0.56) | ADORA2AADORA1ADORA2B | |
| SCHEMBL28491044 | 0.82 | ADORA2A (0.59) | ADORA2AADORA1ADORA2B | |
| SCHEMBL28505779 | 0.82 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BTRPA1 | |
| SCHEMBL28501164 | 0.81 | TRPA1 (0.45) | ADORA2AADORA1ADORA2BRXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-108467386-B | Fused heteroaryl substituted 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |