Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086988 | 0.90 | ADORA1 (0.46) | ADORA1HDAC6ALDH1A1KMT2AMAPK1 | |
| SCHEMBL19086014 | 0.84 | ADORA1 (0.47) | ADORA1HDAC6KMT2AMEN1KDM4E | |
| SCHEMBL19086221 | 0.82 | HDAC6 (0.43) | ADORA1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL1174301 | 0.82 | ADORA1 (0.57) | ADORA1HDAC6ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL19086215 | 0.82 | HDAC6 (0.49) | ADORA1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL7801200 | 0.78 | HDAC6 (0.70) | ADORA1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL976216 | 0.78 | HDAC6 (0.55) | ADORA1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL3441905 | 0.77 | HDAC6 (0.54) | ADORA1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL7992666 | 0.75 | ADORA1 (0.56) | ADORA1KMT2AMAPK1 | |
| SCHEMBL7992050 | 0.75 | ADORA1 (0.52) | ADORA1KMT2AMAPK1 |
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 |