Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28821901 | 0.99 | HRH3 (0.48) | HDAC6FAAHCNR2HRH3PTGES | |
| SCHEMBL22227676 | 0.89 | CNR2 (0.50) | HDAC6FAAHCNR2 | |
| SCHEMBL20296248 | 0.88 | KDM4E (0.51) | HDAC6 | |
| SCHEMBL18344206 | 0.87 | NPC1 (0.55) | HDAC6FAAHCNR2PTGES | |
| SCHEMBL20296406 | 0.87 | HDAC6 (0.53) | HDAC6HRH3PTGES | |
| SCHEMBL20296288 | 0.87 | CNR2 (0.52) | HDAC6CNR2 | |
| SCHEMBL18344187 | 0.86 | NPC1 (0.57) | HDAC6FAAHCNR2PTGES | |
| SCHEMBL20296478 | 0.86 | HDAC6 (0.45) | HDAC6 | |
| SCHEMBL20296414 | 0.85 | HDAC6 (0.45) | HDAC6CNR2HRH3PTGES | |
| SCHEMBL3468711 | 0.85 | HRH3 (0.52) | HDAC6CNR2HRH3PTGES |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107743483-B | NADPH oxidase 4 inhibitors | 埃科特莱茵药品有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-107743483-B | NADPH oxidase 4 inhibitors | 埃科特莱茵药品有限公司 | 2022-01-28 | — | — | CN | disclosed |