Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 10/20 | 0.45 |
| ▸ | WDR77 | Q9BQA1 | 10/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086176 | 0.83 | KDM1A (0.51) | HDAC6PRMT5WDR77KDM1AMAPT | |
| SCHEMBL19086014 | 0.82 | ADORA1 (0.47) | HDAC6PRMT5WDR77KDM1AMAPT | |
| SCHEMBL19086348 | 0.79 | KDM1A (0.41) | HDAC6PRMT5WDR77KDM1AMAPT | |
| SCHEMBL19086191 | 0.78 | TMEM97 (0.48) | HDAC6PRMT5WDR77MAPTALDH1A1 | |
| SCHEMBL19086011 | 0.77 | KDM1A (0.43) | HDAC6PRMT5WDR77KDM1ANPC1 | |
| SCHEMBL19087012 | 0.77 | HCRTR2 (0.39) | HDAC6PRMT5WDR77KDM1AMAPT | |
| SCHEMBL19086197 | 0.77 | HDAC6 (0.45) | HDAC6PRMT5WDR77KDM1AMAPT | |
| SCHEMBL19085999 | 0.77 | TRPV1 (0.41) | PRMT5WDR77NPC1RAB9AKMT2A | |
| SCHEMBL19085990 | 0.77 | BRAF (0.40) | HDAC6PRMT5WDR77KMT2A | |
| SCHEMBL19085981 | 0.77 | TRPV1 (0.41) | PRMT5WDR77NPC1RAB9AKMT2A |
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 |