Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC34A1 | Q06495 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23958591 | 1.00 | CFTR (0.38) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL23958938 | 1.00 | CFTR (0.38) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL25686538 | 1.00 | CFTR (0.38) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL25687315 | 0.89 | CFTR (0.38) | CFTRADORA2AADORA1CYP3A4CYP2C9 | |
| SCHEMBL30211264 | 0.88 | CFTR (0.39) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL30692531 | 0.88 | CFTR (0.39) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL25686593 | 0.88 | CFTR (0.39) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL23958625 | 0.88 | CFTR (0.39) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL25686591 | 0.88 | CFTR (0.39) | CFTRADORA2AADORA1CNR2CNR1 | |
| SCHEMBL23958821 | 0.87 | CFTR (0.36) | CFTRADORA2AADORA1CNR2CNR1 |
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 |