Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8678744 | 0.79 | HDAC2 (0.43) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL7174485 | 0.79 | SERPINE1 (0.46) | MMP9MMP12MMP1MMP2STS | |
| SCHEMBL27029393 | 0.79 | HDAC2 (0.53) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL15827638 | 0.77 | HDAC2 (0.52) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL8429199 | 0.77 | HDAC2 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL11323894 | 0.76 | HDAC4 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL4710137 | 0.76 | HDAC4 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL15426911 | 0.76 | HDAC4 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL11326897 | 0.76 | HDAC4 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 | |
| SCHEMBL9806702 | 0.76 | HDAC4 (0.55) | HDAC2HDAC4HDAC8HDAC6CCR2 |
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-104284884-B | Fluoro-substituted (3R,4R,5S) -5-guanidino-4-acetamido-3- (pentan-3-yloxy) cyclohexene-1-carboxylic acids, esters thereof and uses thereof | 阿斯阿维有限责任公司 | 2016-07-13 | — | — | CN | disclosed |