Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 7/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 7/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086184 | 0.92 | HDAC6 (0.37) | HDAC6NPC1RAB9APRMT5WDR77 | |
| SCHEMBL19086241 | 0.88 | HDAC6 (0.36) | HDAC6NPC1RAB9APRMT5WDR77 | |
| SCHEMBL19086206 | 0.88 | HDAC6 (0.38) | HDAC6PRMT5WDR77KDM1A | |
| SCHEMBL19086216 | 0.87 | HDAC6 (0.35) | HDAC6PRMT5WDR77SMYD3KDM1A | |
| SCHEMBL19086017 | 0.87 | HDAC6 (0.36) | HDAC6PRMT5WDR77KDM1A | |
| SCHEMBL19086222 | 0.86 | KDM1A (0.39) | HDAC6CHEK1NPC1RAB9APRMT5 | |
| SCHEMBL19086335 | 0.84 | HDAC6 (0.39) | HDAC6PRMT5WDR77POLBTDP1 | |
| SCHEMBL19086055 | 0.82 | ROCK2 (0.40) | HDAC6 | |
| SCHEMBL19086201 | 0.82 | PRMT5 (0.40) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086352 | 0.81 | HDAC6 (0.40) | HDAC6NPC1RAB9APRMT5WDR77 |
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 |