Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.64 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | ADK | P55263 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28494454 | 0.84 | NISCH (0.62) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL3589729 | 0.80 | NISCH (0.61) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL27700717 | 0.80 | NISCH (0.51) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL4190354 | 0.79 | NISCH (0.55) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL674010 | 0.78 | NISCH (1.00) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL27451043 | 0.77 | NISCH (0.96) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL28230038 | 0.77 | NISCH (0.96) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL27974204 | 0.77 | NISCH (0.96) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL28110769 | 0.77 | NISCH (0.96) | NISCHSMPD3MTORADKBRD4 | |
| SCHEMBL284115 | 0.77 | NISCH (0.52) | NISCHSMPD3MTORADKBRD4 |
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-108499606-A | A kind of neighbour's sulfydryl aryl N-heterocyclic carbine metal composition catalyst and its preparation method and application | 万华化学集团股份有限公司 | 2018-09-07 | — | — | CN | disclosed |