Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | KDM1A | O60341 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085981 | 0.93 | TRPV1 (0.41) | NPC1RAB9APRMT5WDR77ROCK2 | |
| SCHEMBL19085999 | 0.93 | TRPV1 (0.41) | NPC1RAB9APRMT5WDR77ROCK2 | |
| SCHEMBL19085978 | 0.92 | ROCK2 (0.46) | NPC1RAB9APRMT5WDR77ROCK2 | |
| SCHEMBL19086004 | 0.91 | PRMT5 (0.39) | NPC1RAB9AKDM1AHDAC6PRMT5 | |
| SCHEMBL19086178 | 0.90 | NPC1 (0.38) | NPC1RAB9AROCK2ROCK1DYRK3 | |
| SCHEMBL19085982 | 0.89 | KDM4E (0.39) | RAB9AKDM1APRMT5WDR77ROCK2 | |
| SCHEMBL19086167 | 0.89 | METTL3 (0.37) | NPC1RAB9AHDAC6ROCK2MAOB | |
| SCHEMBL19085987 | 0.89 | KDM1A (0.41) | NPC1RAB9AKDM1APRMT5WDR77 | |
| SCHEMBL19086255 | 0.89 | MEN1 (0.39) | NPC1RAB9AROCK2ROCK1MAOB | |
| SCHEMBL19086256 | 0.88 | NPC1 (0.41) | NPC1RAB9APRMT5WDR77ROCK2 |
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 |