Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | AKT2 | P31751 | 2/20 | 0.32 |
| ▸ | SGK1 | O00141 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL31106994 | 0.84 | SGK1 (0.38) | PDE2APLK4PAK4RPS6KB1HTR2A | |
| SCHEMBL24672317 | 0.74 | AKT2 (0.38) | PDE2APLK4PAK4AKT2SGK1 | |
| SCHEMBL3984786 | 0.73 | PIK3CA (0.49) | RPS6KB1HTR2AHTR2CAKT2SGK1 | |
| SCHEMBL31107020 | 0.70 | SGK1 (0.38) | PDE2APLK4PAK4AKT2SGK1 | |
| SCHEMBL55757 | 0.70 | MTOR (0.40) | PDE2APLK4PAK4AKT2SGK1 | |
| SCHEMBL24955620 | 0.70 | SGK1 (0.38) | PDE2APLK4PAK4AKT2SGK1 | |
| SCHEMBL53863 | 0.65 | PLK4 (0.47) | PDE2APLK4PAK4ALDH1A1SMN1; SMN2 | |
| SCHEMBL2266999 | 0.62 | PLK4 (0.45) | PDE2APLK4PAK4ALDH1A1SMN1; SMN2 | |
| SCHEMBL560806 | 0.62 | RET (0.52) | PDE2APLK4PAK4HTR2AHTR2C | |
| SCHEMBL61883 | 0.62 | PLK4 (0.53) | PDE2APLK4PAK4HTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020151707-A1 | NOVEL SMALL MOLECULE CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-07-30 | — | — | WO | disclosed |