Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | DRD3 | P35462 | 4/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD5 | P21918 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL31156589 | 0.80 | KDM4E (0.43) | PDE4APDE4CPDE4DMETAP2METAP1 | |
| SCHEMBL24715854 | 0.75 | HTR1A (0.55) | — | |
| SCHEMBL4443907 | 0.74 | SLC22A12 (0.40) | SLC22A12ARDRD2DRD3DRD4 | |
| SCHEMBL249779 | 0.74 | METAP2 (0.64) | PDE4APDE4CPDE4DMETAP2METAP1 | |
| SCHEMBL4818198 | 0.74 | METAP2 (0.42) | PDE4APDE4CPDE4DMETAP2METAP1 | |
| SCHEMBL1054398 | 0.74 | SLC22A12 (0.37) | PDE4APDE4CPDE4DSLC22A12DRD2 | |
| SCHEMBL20554633 | 0.73 | SCN9A (0.39) | ARSCN9A | |
| SCHEMBL15125330 | 0.73 | DRD2 (0.35) | PDE4APDE4CPDE4DMETAP2METAP1 | |
| SCHEMBL737308 | 0.73 | SLC40A1 (0.48) | PDE4APDE4CPDE4DMETAP2METAP1 | |
| SCHEMBL2379509 | 0.73 | SLC40A1 (0.40) | PDE4APDE4CPDE4DARL3MBTL1 |
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-112300126-A | Heterocyclic DNA-PK inhibitors | 山东轩竹医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |