Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | BRD3 | Q15059 | 7/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494320 | 0.92 | CYP2D6 (0.46) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL28494318 | 0.92 | CYP2D6 (0.46) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL20615752 | 0.90 | BRD3 (0.52) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL22529416 | 0.88 | BRD3 (0.49) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL30787992 | 0.88 | BRD3 (0.49) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL28488714 | 0.86 | BRD3 (0.49) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL20615443 | 0.86 | BRD3 (0.55) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL30787999 | 0.86 | BRD3 (0.47) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL30787997 | 0.86 | BRD3 (0.47) | CYP2D6KCNH2BRD3GAACASP6 | |
| SCHEMBL28498110 | 0.84 | CYP2D6 (0.54) | CYP2D6KCNH2BRD3GAACASP6 |
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-107739371-B | Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof | 华东师范大学 | 2020-08-25 | — | — | CN | disclosed |