Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | CFTR | P13569 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SLC34A1 | Q06495 | 5/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23930153 | 1.00 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23930265 | 0.88 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23958817 | 0.87 | ADORA2A (0.42) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23958680 | 0.82 | CFTR (0.35) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL30007930 | 0.82 | CFTR (0.35) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23958839 | 0.80 | CFTR (0.39) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL25686491 | 0.80 | CFTR (0.36) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23958821 | 0.80 | CFTR (0.36) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23930276 | 0.80 | CFTR (0.36) | ADORA2AADORA1ADORA2BADORA3CNR2 | |
| SCHEMBL23958746 | 0.79 | CYP11B1 (0.34) | ADORA2AADORA1ADORA2BCNR2CNR1 |
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-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |