Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL541844 | 0.95 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL722646 | 0.88 | GRIN2D (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL722645 | 0.88 | GRIN2D (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19667966 | 0.86 | ALDH1A1 (0.33) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16295022 | 0.85 | PPARA (0.45) | ALDH1A1KDM4EHSD17B10MCL1 | |
| SCHEMBL8022683 | 0.84 | HDAC3 (0.32) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2272942 | 0.84 | ALDH1A1 (0.32) | ALDH1A1FOLH1 | |
| SCHEMBL634123 | 0.84 | GRIN2D (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL721060 | 0.83 | PPARA (0.44) | ALDH1A1MCL1 | |
| SCHEMBL721851 | 0.83 | PPARA (0.44) | ALDH1A1MCL1 |
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-106565472-A | Cyclohexanecarboxylic acid ester preparation method | 万华化学集团股份有限公司 | 2017-04-19 | — | — | CN | disclosed |