Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179262 | 0.82 | MAPT (0.37) | CYP17A1MAPTPPARGPPARAMAPK10 | |
| SCHEMBL23912318 | 0.76 | ALDH1A1 (0.43) | HDAC1HDAC6CYP17A1MAPTPPARG | |
| SCHEMBL355461 | 0.73 | HDAC1 (0.51) | HDAC1HDAC6TRPA1MAPTKDM4E | |
| SCHEMBL14896680 | 0.73 | HDAC1 (0.46) | HDAC1HDAC6ALDH1A1CTSLCTSS | |
| SCHEMBL20050719 | 0.71 | PRMT5 (0.41) | HDAC1HDAC6MAPTAAK1MAPK10 | |
| SCHEMBL24213542 | 0.70 | SYK (0.41) | — | |
| SCHEMBL13193090 | 0.70 | CA12 (0.47) | HDAC1HDAC6CYP17A1ALDH1A1 | |
| SCHEMBL31455580 | 0.70 | CA12 (0.47) | HDAC1HDAC6CYP17A1ALDH1A1 | |
| SCHEMBL30448505 | 0.69 | HDAC1 (0.48) | HDAC1HDAC6MAPTKDM4ERAB9A | |
| SCHEMBL25721164 | 0.69 | HDAC1 (0.48) | HDAC1HDAC6MAPTKDM4ERAB9A |
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-2022012409-A1 | ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉朗来科技发展有限公司 | 2022-01-20 | — | — | WO | disclosed |