Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 4/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25687407 | 1.00 | CTSA (0.34) | CTSAGABRA5ROCK2ROCK1ABCB1 | |
| SCHEMBL25232907 | 1.00 | CTSA (0.34) | CTSAGABRA5ROCK2ROCK1ABCB1 | |
| SCHEMBL25686209 | 0.93 | CFTR (0.34) | CTSAROCK2ROCK1 | |
| SCHEMBL30007745 | 0.93 | CFTR (0.34) | CTSAROCK2ROCK1 | |
| SCHEMBL30007118 | 0.91 | CTSA (0.35) | CTSAGABRA5ROCK2ROCK1ABCB1 | |
| SCHEMBL25687368 | 0.91 | CTSA (0.35) | CTSAGABRA5ROCK2ROCK1ABCB1 | |
| SCHEMBL23958892 | 0.91 | CTSA (0.35) | CTSAGABRA5ROCK2ROCK1ABCB1 | |
| SCHEMBL25687403 | 0.87 | CFTR (0.33) | CTSA | |
| SCHEMBL30007273 | 0.87 | CFTR (0.33) | CTSA | |
| SCHEMBL23958639 | 0.87 | CTSA (0.35) | CTSAGABRA5ROCK2ROCK1CYP2C9 |
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 |