Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368558 | 0.84 | MLYCD (0.73) | MLYCDCA2CA1GSK3BALDH1A1 | |
| SCHEMBL10768859 | 0.78 | MLYCD (0.49) | MLYCDCA2CA1GSK3BALDH1A1 | |
| SCHEMBL28356730 | 0.75 | CES1 (0.52) | CA2CA1NPC1RAB9A | |
| SCHEMBL14307469 | 0.74 | CA2 (0.64) | CA2CA1GSK3BALDH1A1MAPT | |
| SCHEMBL3976909 | 0.74 | CA2 (0.53) | MLYCDCA2CA1GSK3BALDH1A1 | |
| SCHEMBL1225921 | 0.74 | CA2 (0.53) | MLYCDCA2CA1GSK3BALDH1A1 | |
| SCHEMBL7887114 | 0.74 | CA2 (0.53) | MLYCDCA2CA1GSK3BALDH1A1 | |
| SCHEMBL28652560 | 0.74 | CES2 (0.61) | GSK3BMAOB | |
| SCHEMBL28353006 | 0.74 | CA2 (0.62) | CA2GSK3BALDH1A1MAPTHDAC1 | |
| SCHEMBL28356967 | 0.74 | CES1 (0.50) | CA2CA1GSK3BALDH1A1MAPT |
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-112279754-A | Preparation method of beta-caryophyllene derived difluoroalkyl substituted tricyclic compound | 四川宸煜林业开发有限责任公司 | 2021-01-29 | — | — | CN | disclosed |