Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | CD38 | P28907 | 5/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23305115 | 0.83 | CD38 (0.41) | HDAC4CD38PPARGROCK2ROCK1 | |
| SCHEMBL23305063 | 0.79 | CD38 (0.55) | HDAC4CD38ROCK2ROCK1 | |
| SCHEMBL23329393 | 0.77 | CD38 (0.47) | CD38LRRK2 | |
| SCHEMBL23329849 | 0.76 | CD38 (0.64) | CD38 | |
| SCHEMBL23329867 | 0.74 | CD38 (0.52) | CD38 | |
| SCHEMBL23329198 | 0.72 | CD38 (0.38) | CD38 | |
| SCHEMBL23329183 | 0.68 | CD38 (0.40) | CD38 | |
| SCHEMBL23329449 | 0.64 | CD38 (0.58) | CD38 | |
| SCHEMBL13501821 | 0.62 | ROCK2 (0.43) | HDAC4PPARGROCK2ROCK1KCNK3 | |
| SCHEMBL23329533 | 0.62 | CD38 (0.73) | CD38 |
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-2021087087-A1 | N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS | MITOBRIDGE INC. (US) | 2021-05-06 | — | — | WO | disclosed |