Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 15/20 | 0.64 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL23305081 | 0.84 | CD38 (0.58) | CD38KLKB1RORC | |
| SCHEMBL23305439 | 0.81 | CD38 (0.76) | CD38KLKB1 | |
| SCHEMBL23329393 | 0.79 | CD38 (0.47) | CD38KLKB1 | |
| SCHEMBL31484487 | 0.78 | CD38 (1.00) | CD38KLKB1 | |
| SCHEMBL22932801 | 0.78 | CD38 (1.00) | CD38KLKB1 | |
| SCHEMBL22936235 | 0.77 | CD38 (0.77) | CD38KLKB1 | |
| SCHEMBL29696551 | 0.77 | CD38 (0.77) | CD38KLKB1 | |
| SCHEMBL22936300 | 0.76 | CD38 (1.00) | CD38KLKB1CYP3A4KCNH2 | |
| SCHEMBL29696536 | 0.76 | CD38 (1.00) | CD38KLKB1CYP3A4KCNH2 | |
| SCHEMBL23329531 | 0.76 | HDAC4 (0.42) | 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 |