Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519722 | 1.00 | HDAC6 (0.50) | HDAC6UCHL1NR1H2ALDH1A1POLB | |
| SCHEMBL28527971 | 0.86 | HDAC6 (0.55) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28527972 | 0.86 | HDAC6 (0.55) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL1174513 | 0.80 | HDAC6 (0.72) | HDAC6NR1H2ESR2BRD4CREBBP | |
| SCHEMBL978284 | 0.77 | HDAC6 (0.59) | HDAC6NR1H2ESR2BRD4CREBBP | |
| SCHEMBL743782 | 0.76 | HDAC6 (0.54) | HDAC6NR1H2ALDH1A1ESR2BRD4 | |
| SCHEMBL8555269 | 0.76 | HDAC6 (0.54) | HDAC6NR1H2ESR2BRD4CREBBP | |
| SCHEMBL28526157 | 0.75 | HDAC6 (0.57) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28526155 | 0.75 | HDAC6 (0.57) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL6421478 | 0.74 | NR1H2 (0.54) | HDAC6NR1H2ESR2BRD4CREBBP |
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-108239082-B | Compound for inhibiting ROCK and application thereof | 成都先导药物开发股份有限公司 | 2021-01-05 | — | — | CN | disclosed |