Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 16/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28499042 | 0.85 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL28905138 | 0.83 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL28491901 | 0.82 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL28491897 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL28502705 | 0.80 | ADORA2A (0.42) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL28499041 | 0.77 | ADORA2A (0.56) | ADORA2AADORA1TRPA1RXRARXRB | |
| SCHEMBL28501164 | 0.76 | TRPA1 (0.45) | ADORA2AADORA1ADORA2BTRPA1RXRA | |
| SCHEMBL23637751 | 0.71 | ADORA2A (0.74) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL28505779 | 0.70 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BTRPA1 | |
| SCHEMBL25175481 | 0.68 | RXRA (0.56) | ADORA2ATRPA1RXRARXRBRXRG |
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 |