Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK13 | Q9HB14 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GUCY1A1 | Q02108 | 14/20 | 0.36 |
| ▸ | GUCY1B1 | Q02153 | 14/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503510 | 0.91 | ADORA3 (0.40) | ADORA3KCNH2GUCY1A1GUCY1B1BUB1 | |
| SCHEMBL23161922 | 0.90 | ADORA3 (0.39) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL23161925 | 0.89 | ADORA3 (0.39) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL30937506 | 0.85 | ADORA3 (0.50) | ADORA3KCNH2GUCY1A1GUCY1B1BUB1 | |
| SCHEMBL23161959 | 0.85 | ADORA3 (0.50) | ADORA3KCNH2GUCY1A1GUCY1B1BUB1 | |
| SCHEMBL28500468 | 0.85 | ADORA3 (0.43) | ADORA3KCNH2GUCY1A1GUCY1B1BUB1 | |
| SCHEMBL23161923 | 0.85 | KCNK13 (0.45) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL23161954 | 0.84 | KCNK13 (0.42) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL23186718 | 0.83 | ADORA3 (0.41) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL23161924 | 0.82 | KCNH2 (0.47) | KCNK13ADORA3KCNH2GUCY1A1GUCY1B1 |
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-108727340-B | Fluorine substituted indazoles and use thereof | 广东东阳光药业有限公司 | 2020-12-29 | — | — | CN | disclosed |