Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30930375 | 0.89 | CYP2D6 (0.39) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930306 | 0.85 | NPSR1 (0.43) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930310 | 0.84 | MCHR1 (0.39) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930458 | 0.84 | MAPT (0.43) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930352 | 0.83 | MAPK1 (0.40) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930355 | 0.83 | MAPT (0.42) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930414 | 0.83 | MAPT (0.47) | CYP2D6MAPTNPSR1TP53PARP1 | |
| SCHEMBL30930427 | 0.82 | NPSR1 (0.38) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930446 | 0.82 | CYP2D6 (0.37) | CYP2D6MAPTNPSR1TP53THRB | |
| SCHEMBL30930376 | 0.82 | MAPT (0.47) | CYP2D6MAPTNPSR1TP53PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118103363-A | Novel capsid assembly inhibitor | 南韩商AM科学股份有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-118103363-A | Novel capsid assembly inhibitor | 南韩商AM科学股份有限公司 | 2024-05-28 | — | — | CN | disclosed |