Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.47 |
| ▸ | CCNC | P24863 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526766 | 1.00 | HSD11B1 (0.47) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28533977 | 1.00 | HSD11B1 (0.47) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28907054 | 0.98 | HDAC6 (0.45) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28907055 | 0.98 | HDAC6 (0.45) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28528120 | 0.95 | HDAC6 (0.43) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28528116 | 0.95 | HDAC6 (0.43) | HSD11B1CCNCCDK8HDAC6FASN | |
| SCHEMBL28515513 | 0.89 | HSD11B1 (0.48) | HSD11B1CCNCCDK8HDAC6PRMT5 | |
| SCHEMBL28515593 | 0.89 | HSD11B1 (0.48) | HSD11B1CCNCCDK8HDAC6PRMT5 | |
| SCHEMBL28515510 | 0.89 | HSD11B1 (0.48) | HSD11B1CCNCCDK8HDAC6PRMT5 | |
| SCHEMBL19086156 | 0.81 | HDAC6 (0.41) | HSD11B1HDAC6FASNPRMT5WDR77 |
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 |