Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23998159 | 0.85 | ADORA2A (0.49) | F11ALDH1A3GRM5ADORA2ACTSA | |
| SCHEMBL30250530 | 0.85 | ADORA2A (0.49) | F11ALDH1A3GRM5ADORA2ACTSA | |
| SCHEMBL38656011 | 0.85 | ALDH1A3 (0.48) | F11PDE4APDE4CPDE4DALDH1A3 | |
| SCHEMBL23998606 | 0.85 | ALDH1A3 (0.48) | F11PDE4APDE4CPDE4DALDH1A3 | |
| SCHEMBL3564589 | 0.84 | KDM4E (0.52) | — | |
| SCHEMBL23998434 | 0.81 | ALDH1A3 (0.47) | ALDH1A3GRM5XDHADORA2AGABRA1 | |
| SCHEMBL30250866 | 0.81 | ALDH1A3 (0.47) | ALDH1A3GRM5XDHADORA2AGABRA1 | |
| SCHEMBL30375334 | 0.81 | CTSA (0.47) | GRM5CTSA | |
| SCHEMBL1202970 | 0.79 | CTSA (0.54) | F11PDE4APDE4CPDE4DPIN1 | |
| SCHEMBL23998191 | 0.77 | F11 (0.43) | F11PDE4APDE4CPDE4DPIN1 |
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-115996929-A | Antagonists of adenosine A2a receptors | 阿道尔克斯治疗有限公司 | 2023-04-21 | — | — | CN | disclosed |