Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22560166 | 1.00 | BRD4 (0.38) | BRD4TGFBR1ACVR1KCNH2PSMB5 | |
| SCHEMBL6113102 | 0.89 | KDM4E (0.47) | BRD4 | |
| SCHEMBL1771400 | 0.86 | TUBB4A (0.43) | — | |
| SCHEMBL21715385 | 0.86 | BRD4 (0.35) | BRD4 | |
| SCHEMBL6112784 | 0.86 | DHFR (0.38) | — | |
| SCHEMBL6112857 | 0.86 | NOTUM (0.38) | BRD4 | |
| SCHEMBL6112836 | 0.86 | BRD4 (0.38) | BRD4 | |
| SCHEMBL21715427 | 0.85 | PTPRF (0.39) | — | |
| SCHEMBL21715430 | 0.84 | PDE1A (0.38) | BRD4 | |
| SCHEMBL6113057 | 0.83 | CYP1A2 (0.43) | — |
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-112789035-B | Benzocycloheptene analogues and related compounds having activity as anticancer agents | 贝勒大学 | 2024-02-09 | — | — | CN | disclosed |