Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25997009 | 0.87 | KDR (0.50) | DRD2KDRDRD3SIGMAR1 | |
| SCHEMBL9752595 | 0.85 | L3MBTL1 (0.55) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL16553513 | 0.85 | PLD1 (0.49) | PLD1ALDH1A1L3MBTL1SIGMAR1POLB | |
| SCHEMBL27989607 | 0.84 | PLD1 (0.51) | PLD1DRD2ALDH1A1L3MBTL1SIGMAR1 | |
| SCHEMBL9394796 | 0.77 | L3MBTL1 (0.51) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL9752675 | 0.77 | L3MBTL1 (0.51) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL31286394 | 0.77 | PLD1 (0.45) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL9752719 | 0.75 | L3MBTL1 (0.50) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL9752728 | 0.75 | L3MBTL1 (0.50) | PLD1DRD2TP53L3MBTL1POLB | |
| SCHEMBL9752571 | 0.75 | L3MBTL1 (0.50) | PLD1DRD2TP53L3MBTL1POLB |
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-2017088738-A1 | MODIFIED COMPOUND OF ANDROGRAPHOLIDE | 南京明德新药研发股份有限公司 | 2017-06-01 | — | — | WO | disclosed |