Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3972135 | 0.77 | NISCH (0.45) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL3972133 | 0.73 | NISCH (0.45) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL11430909 | 0.70 | NISCH (0.45) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL3966534 | 0.68 | NISCH (0.49) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL19392968 | 0.68 | BRD4 (0.54) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL15718086 | 0.68 | NISCH (0.49) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL517074 | 0.68 | BRD4 (0.54) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL17147892 | 0.67 | NISCH (0.45) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL8569206 | 0.67 | NISCH (0.42) | NISCHCASRHPGDBRD4CREBBP | |
| SCHEMBL9407269 | 0.66 | HPGD (0.52) | NISCHHPGDBRD4GAANPSR1 |
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-114436955-A | Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2022-05-06 | — | — | CN | disclosed |