Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL30930428 | 0.89 | MEN1 (0.38) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930364 | 0.88 | MAPT (0.36) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930463 | 0.88 | MEN1 (0.38) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930458 | 0.87 | MAPT (0.43) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930414 | 0.87 | MAPT (0.47) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930355 | 0.87 | MAPT (0.42) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930376 | 0.85 | MAPT (0.47) | CYP2D6MAPTNPC1HTTRAB9A | |
| SCHEMBL30930472 | 0.82 | CYP2D6 (0.39) | CYP2D6MAPTTHRBTP53NPSR1 | |
| SCHEMBL30930306 | 0.82 | NPSR1 (0.43) | CYP2D6MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30930310 | 0.82 | MCHR1 (0.39) | CYP2D6MAPTNPC1RAB9ASMN1; SMN2 |
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 |