Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 7/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | MMP9 | P14780 | 3/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | EPOR | P19235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28475356 | 0.89 | CACNA1B (0.50) | CACNA1BMAOAMAOBALOX5PTGS1 | |
| SCHEMBL6752491 | 0.88 | CACNA1B (0.49) | CACNA1BMAOAMAOBALOX5PTGS1 | |
| SCHEMBL9997372 | 0.88 | CACNA1B (0.49) | CACNA1BMAOAMAOBALOX5PTGS1 | |
| SCHEMBL28462136 | 0.85 | CACNA1B (0.47) | CACNA1BMAOAMAOBALOX5PTGS1 | |
| SCHEMBL293068 | 0.81 | IDO1 (0.57) | CACNA1BMAOBMMP1MMP2MMP9 | |
| SCHEMBL3324115 | 0.81 | IDO1 (0.57) | CACNA1BMAOBMMP1MMP2MMP9 | |
| SCHEMBL28849822 | 0.81 | HSD17B3 (0.54) | CACNA1BMAOAMAOBMMP1MMP2 | |
| SCHEMBL28462963 | 0.81 | CYP1A2 (0.54) | CACNA1BMAOAMAOBMMP1MMP2 | |
| SCHEMBL28462556 | 0.81 | NFE2L2 (0.52) | CACNA1BPTGS1PTGS2MMP1MMP2 | |
| SCHEMBL28469057 | 0.80 | RAB9A (0.47) | CACNA1BMAOBMMP1MMP2MMP9 |
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-106316813-B | 3-substituted 3-vinyl-2-hydroxy-1-aryl acetone and synthesis method thereof | 上海交通大学 | 2020-09-15 | — | — | CN | disclosed |