Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23625913 | 0.95 | CYP2D6 (0.32) | CYP2D6CYP2C19HDAC6ELANE | |
| SCHEMBL23626191 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL30952890 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL24961373 | 0.69 | CNR2 (0.43) | ELANE | |
| SCHEMBL30040347 | 0.69 | CNR2 (0.43) | ELANE | |
| SCHEMBL29220400 | 0.68 | DRD2 (0.31) | — | |
| SCHEMBL21814848 | 0.65 | ESR1 (0.47) | — | |
| SCHEMBL30040160 | 0.64 | CNR2 (0.41) | ELANE | |
| SCHEMBL23625918 | 0.64 | CNR2 (0.41) | ELANE | |
| SCHEMBL24823325 | 0.64 | — | — |
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-2021136244-A1 | TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2021-07-08 | — | — | WO | disclosed |