Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 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 | |
|---|---|---|---|---|
| SCHEMBL20159984 | 0.89 | SMN1; SMN2 (0.35) | BRD4NPC1HTTSMN1; SMN2GAA | |
| SCHEMBL20160417 | 0.81 | BRD4 (0.42) | BRD4NPC1HTTSMN1; SMN2KDM4E | |
| SCHEMBL20160024 | 0.79 | BRD4 (0.45) | BRD4SMN1; SMN2MAPK14KDM4EKMT2A | |
| SCHEMBL20159904 | 0.78 | MAPK14 (0.41) | BRD4MAPK14SCN4A | |
| SCHEMBL20160308 | 0.78 | BRD4 (0.43) | BRD4MAPK14KMT2A | |
| SCHEMBL20159910 | 0.72 | NPC1 (0.39) | BRD4NPC1LMNA | |
| SCHEMBL20160229 | 0.70 | BRD4 (0.44) | BRD4MAPK14SCN4A | |
| SCHEMBL20160241 | 0.68 | PIM1 (0.44) | BRD4MAPK14 | |
| SCHEMBL20160230 | 0.67 | BRD4 (0.48) | BRD4MAPK14 | |
| SCHEMBL11628077 | 0.67 | KDM4E (0.46) | NPC1HTTSMN1; SMN2GAAKDM4E |
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 |