Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 11/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30892239 | 1.00 | CASR (0.42) | CASRSCDTNFNOD1SLC13A5 | |
| SCHEMBL29281783 | 0.93 | CASR (0.43) | CASRSLC13A5L3MBTL1NPC1MAPT | |
| SCHEMBL30892233 | 0.93 | CASR (0.43) | CASRSLC13A5L3MBTL1NPC1MAPT | |
| SCHEMBL29281784 | 0.89 | CASR (0.42) | CASRNPC1MAPTALDH1A1PTPRC | |
| SCHEMBL30892238 | 0.89 | CASR (0.42) | CASRNPC1MAPTALDH1A1PTPRC | |
| SCHEMBL29281791 | 0.87 | CASR (0.40) | CASRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL30892234 | 0.87 | CASR (0.40) | CASRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL30892237 | 0.86 | CASR (0.57) | CASRSLC13A5ALDH1A1GAAPTPRC | |
| SCHEMBL29281794 | 0.86 | CASR (0.57) | CASRSLC13A5ALDH1A1GAAPTPRC | |
| SCHEMBL30892242 | 0.84 | CASR (0.44) | CASRALDH1A1PTPRCPTPN2PTPN1 |
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-117945824-A | Deuterated methyl enaminone compound and preparation method thereof | 南京工业大学 | 2024-04-30 | — | — | CN | disclosed |