Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.48 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 4/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28515510 | 1.00 | HSD11B1 (0.48) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28515593 | 1.00 | HSD11B1 (0.48) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28526766 | 0.89 | HSD11B1 (0.47) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28526773 | 0.89 | HSD11B1 (0.47) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28533977 | 0.89 | HSD11B1 (0.47) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28907055 | 0.87 | HDAC6 (0.45) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28907054 | 0.87 | HDAC6 (0.45) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28528120 | 0.85 | HDAC6 (0.43) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL28528116 | 0.85 | HDAC6 (0.43) | HSD11B1CCNCCDK8ROCK2HDAC6 | |
| SCHEMBL19085999 | 0.79 | TRPV1 (0.41) | ROCK2ROCK1DDR1PRMT5WDR77 |
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 |