Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 9/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086197 | 0.84 | HDAC6 (0.45) | HDAC6NPC1RAB9APRNPKDM1A | |
| SCHEMBL19086195 | 0.79 | KDM1A (0.41) | HDAC6NPC1RAB9APRNPKDM1A | |
| SCHEMBL19086176 | 0.75 | KDM1A (0.51) | HDAC6NPC1RAB9AKDM1APRMT5 | |
| SCHEMBL19086221 | 0.75 | HDAC6 (0.43) | HDAC6NPC1RAB9APRNPPRMT5 | |
| SCHEMBL19609266 | 0.73 | HDAC6 (0.64) | HDAC6NPC1RAB9APRNPKDM1A | |
| SCHEMBL19086022 | 0.71 | RAB9A (0.56) | HDAC6NPC1RAB9APRNPPRMT5 | |
| SCHEMBL19086049 | 0.70 | ROCK2 (0.43) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086353 | 0.69 | HDAC6 (0.43) | HDAC6NPC1RAB9APRNPKDM1A | |
| SCHEMBL19086253 | 0.69 | KDM1A (0.41) | HDAC6NPC1RAB9APRNPKDM1A | |
| SCHEMBL19609239 | 0.69 | HDAC6 (0.39) | HDAC6KDM1APRMT5WDR77ALDH1A1 |
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 |