Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086001 | 0.86 | JAK2 (0.40) | NPC1 | |
| SCHEMBL19086020 | 0.85 | ROCK2 (0.44) | RAB9ANPC1HDAC6 | |
| SCHEMBL19086047 | 0.85 | ROCK2 (0.44) | RAB9ANPC1HDAC6 | |
| SCHEMBL19086141 | 0.84 | ROCK2 (0.44) | RAB9ANPC1HDAC6 | |
| SCHEMBL19086052 | 0.81 | ROCK2 (0.46) | HDAC6WNT1DYRK1A | |
| SCHEMBL19086056 | 0.80 | ROCK2 (0.43) | HDAC6 | |
| SCHEMBL19086352 | 0.80 | HDAC6 (0.40) | RAB9ANPC1HDAC6 | |
| SCHEMBL19086049 | 0.79 | ROCK2 (0.43) | HDAC6 | |
| SCHEMBL19086051 | 0.79 | ROCK2 (0.48) | HDAC6WNT1DYRK1A | |
| SCHEMBL19086055 | 0.79 | ROCK2 (0.40) | HDAC6 |
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 |