Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 16/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20160293 | 0.81 | BRD4 (0.43) | BRD4NPC1HTTSMN1; SMN2KDM4E | |
| SCHEMBL20159984 | 0.71 | SMN1; SMN2 (0.35) | BRD4NPC1HTTSMN1; SMN2KDM4E | |
| SCHEMBL20160273 | 0.70 | SMN1; SMN2 (0.56) | BRD4SMN1; SMN2KDM4E | |
| SCHEMBL20159838 | 0.69 | BRD4 (0.56) | BRD4 | |
| SCHEMBL20160416 | 0.68 | BRD4 (0.55) | BRD4 | |
| SCHEMBL20159922 | 0.67 | BRD4 (0.47) | BRD4 | |
| SCHEMBL20160303 | 0.65 | BRD4 (0.58) | BRD4 | |
| SCHEMBL20160282 | 0.65 | BRD4 (0.49) | BRD4 | |
| SCHEMBL20159910 | 0.65 | NPC1 (0.39) | BRD4NPC1MAPT | |
| SCHEMBL20160024 | 0.64 | BRD4 (0.45) | BRD4SMN1; SMN2KDM4EALDH1A1 |
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-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |