Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | PDXK | O00764 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22859671 | 0.81 | NOS3 (0.37) | NOS3NOS1NOS2PDXKALDH1A1 | |
| SCHEMBL17545521 | 0.76 | NOS3 (0.43) | NOS3NOS1NOS2PDXKALDH1A1 | |
| SCHEMBL22944280 | 0.74 | NOS3 (0.38) | NOS3NOS1NOS2PDXKALDH1A1 | |
| SCHEMBL8986665 | 0.73 | NOS3 (0.41) | NOS3NOS1NOS2PDXKALDH1A1 | |
| SCHEMBL17404651 | 0.73 | NOS3 (0.50) | NOS3NOS1NOS2 | |
| SCHEMBL11965050 | 0.71 | FFAR1 (0.37) | NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL22564851 | 0.71 | NOS3 (0.39) | NOS3NOS1NOS2ALDH1A1NPSR1 | |
| SCHEMBL3705875 | 0.71 | LMNA (0.40) | NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL11917627 | 0.70 | CCR1 (0.42) | NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL24982634 | 0.70 | NOS3 (0.42) | NOS3NOS1NOS2PDXKALDH1A1 |
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-116157154-A | Plasma kallikrein inhibitors | 默沙东有限责任公司 | 2023-05-23 | — | — | CN | disclosed |