Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 20/20 | 0.56 |
| ▸ | EP300 | Q09472 | 2/20 | 0.53 |
| ▸ | BRD2 | P25440 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | TSPO | P30536 | 1/20 | 0.51 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.51 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845756 | 1.00 | BRD4 (0.56) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29845928 | 0.87 | MET (0.47) | BRD4BRD2BRD3 | |
| SCHEMBL28830942 | 0.87 | MET (0.47) | BRD4BRD2BRD3 | |
| SCHEMBL29845731 | 0.86 | BRD4 (0.53) | BRD4 | |
| SCHEMBL28830984 | 0.86 | BRD4 (0.53) | BRD4 | |
| SCHEMBL28830920 | 0.83 | BRD4 (0.52) | BRD4BRD2BRD3 | |
| SCHEMBL29845791 | 0.83 | BRD4 (0.52) | BRD4BRD2BRD3 | |
| SCHEMBL28830932 | 0.82 | BRD4 (0.61) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29845832 | 0.82 | BRD4 (0.61) | BRD4EP300BRD2ADORA2BTSPO | |
| SCHEMBL29548942 | 0.79 | BRD4 (0.65) | BRD4EP300BRD2ADORA2BTSPO |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115028646-A | Nitrogen-containing heterocyclic compound, preparation method and application in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2022-09-09 | — | — | CN | claimed |
| CN-115028646-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2023-06-30 | — | — | CN | disclosed |
| CN-115028646-A | Nitrogen-containing heterocyclic compound, preparation method and application in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2022-09-09 | — | — | CN | disclosed |