Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 4/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086162 | 0.93 | KMT2A (0.40) | KMT2AHCRTR2HCRTR1ROCK2ROCK1 | |
| SCHEMBL19086154 | 0.88 | F10 (0.43) | ROCK2ROCK1CYP3A4PRMT5WDR77 | |
| SCHEMBL19085984 | 0.87 | ROCK2 (0.42) | KMT2AHCRTR2ROCK2ROCK1PRMT5 | |
| SCHEMBL19086161 | 0.86 | HDAC6 (0.41) | ROCK2ROCK1CYP3A4PRMT5WDR77 | |
| SCHEMBL19085983 | 0.86 | ROCK2 (0.43) | KMT2AHCRTR2HCRTR1ROCK2ROCK1 | |
| SCHEMBL19085999 | 0.86 | TRPV1 (0.41) | KMT2AHCRTR2ROCK2ROCK1PRMT5 | |
| SCHEMBL19085981 | 0.86 | TRPV1 (0.41) | KMT2AHCRTR2ROCK2ROCK1PRMT5 | |
| SCHEMBL19086025 | 0.85 | ENPP2 (0.43) | ROCK2CYP3A4PRMT5WDR77 | |
| SCHEMBL19086156 | 0.84 | HDAC6 (0.41) | ROCK2ROCK1CYP3A4PRMT5WDR77 | |
| SCHEMBL19086148 | 0.83 | HDAC6 (0.40) | ROCK2ROCK1CYP3A4PRMT5WDR77 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |