Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PRMT5 | O14744 | 7/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 7/20 | 0.39 |
| ▸ | KDM1A | O60341 | 4/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28527971 | 1.00 | HDAC6 (0.55) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28519722 | 0.86 | HDAC6 (0.50) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28519721 | 0.86 | HDAC6 (0.50) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28526155 | 0.80 | HDAC6 (0.57) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28526157 | 0.80 | HDAC6 (0.57) | HDAC6ALDH1A1POLBPKMPRMT5 | |
| SCHEMBL28528120 | 0.79 | HDAC6 (0.43) | HDAC6PRMT5WDR77 | |
| SCHEMBL28528116 | 0.79 | HDAC6 (0.43) | HDAC6PRMT5WDR77 | |
| SCHEMBL28533977 | 0.74 | HSD11B1 (0.47) | HDAC6PRMT5WDR77 | |
| SCHEMBL28526773 | 0.74 | HSD11B1 (0.47) | HDAC6PRMT5WDR77 | |
| SCHEMBL28526766 | 0.74 | HSD11B1 (0.47) | HDAC6PRMT5WDR77 |
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 |