Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086988 | 0.84 | ADORA1 (0.46) | HDAC6ADORA1PRMT5WDR77KMT2A | |
| SCHEMBL19086197 | 0.83 | HDAC6 (0.45) | HDAC6NPC1RAB9APRNPPRMT5 | |
| SCHEMBL19086220 | 0.82 | ADORA1 (0.53) | HDAC6ADORA1KMT2AMEN1MAPT | |
| SCHEMBL19086014 | 0.81 | ADORA1 (0.47) | HDAC6ADORA1PRMT5WDR77KMT2A | |
| SCHEMBL19086049 | 0.78 | ROCK2 (0.43) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086017 | 0.75 | HDAC6 (0.36) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086200 | 0.75 | HDAC6 (0.48) | HDAC6NPC1RAB9APRNPPRMT5 | |
| SCHEMBL19086018 | 0.74 | ROCK2 (0.44) | HDAC6KMT2A | |
| SCHEMBL19086184 | 0.71 | HDAC6 (0.37) | HDAC6NPC1RAB9APRNPPRMT5 | |
| SCHEMBL19086206 | 0.71 | HDAC6 (0.38) | HDAC6PRMT5WDR77KMT2A |
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 |