Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 12/20 | 0.57 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30892237 | 1.00 | CASR (0.57) | CASRGLO1ALDH1A1GAAHTT | |
| SCHEMBL29281783 | 0.88 | CASR (0.43) | CASRHTTPTPRCPTPN2PTPN1 | |
| SCHEMBL30892233 | 0.88 | CASR (0.43) | CASRHTTPTPRCPTPN2PTPN1 | |
| SCHEMBL29281787 | 0.86 | CASR (0.42) | CASRALDH1A1GAAPTPRCPTPN2 | |
| SCHEMBL30892238 | 0.86 | CASR (0.42) | CASRGLO1ALDH1A1PTPRCPTPN2 | |
| SCHEMBL30892239 | 0.86 | CASR (0.42) | CASRALDH1A1GAAPTPRCPTPN2 | |
| SCHEMBL29281784 | 0.86 | CASR (0.42) | CASRGLO1ALDH1A1PTPRCPTPN2 | |
| SCHEMBL30892234 | 0.84 | CASR (0.40) | CASRALDH1A1HTTPOLBRECQL | |
| SCHEMBL29281791 | 0.84 | CASR (0.40) | CASRALDH1A1HTTPOLBRECQL | |
| SCHEMBL30892242 | 0.83 | 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 |