Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 6/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 3/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362077 | 0.93 | BRD4 (0.40) | BRD4MAPK14 | |
| SCHEMBL20157907 | 0.93 | MAP2K2 (0.37) | BRD4MAP2K2MAP2K1HDAC10HDAC6 | |
| SCHEMBL21564878 | 0.92 | BRD4 (0.34) | BRD4MAP2K2MAP2K1HDAC10HDAC6 | |
| SCHEMBL20157909 | 0.92 | BRD4 (0.34) | BRD4HDAC10HDAC6MAPK14KLKB1 | |
| SCHEMBL20157348 | 0.90 | HDAC10 (0.35) | BRD4HDAC10HDAC6RAF1BRAF | |
| SCHEMBL21550010 | 0.89 | BRD4 (0.36) | BRD4HDAC10HDAC6RAF1BRAF | |
| SCHEMBL20157852 | 0.88 | BRD4 (0.36) | BRD4HDAC10HDAC6PKM | |
| SCHEMBL20157755 | 0.88 | BRD4 (0.35) | BRD4HDAC10HDAC6RAF1BRAF | |
| SCHEMBL21564928 | 0.86 | BRD4 (0.35) | BRD4RAF1BRAF | |
| SCHEMBL21564924 | 0.86 | HDAC10 (0.36) | BRD4HDAC10HDAC6TP53MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |