Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21550252 | 0.90 | ALDH1A1 (0.34) | BRD4MAPK8ALDH1A1TP53GLA | |
| SCHEMBL21550125 | 0.90 | ALDH1A1 (0.36) | BRD4MAPK8ALDH1A1TP53GLA | |
| SCHEMBL20157909 | 0.88 | BRD4 (0.34) | BRD4MAPK8EPAS1ALDH1A1TP53 | |
| SCHEMBL20157351 | 0.87 | HDAC10 (0.36) | BRD4MAPK8ALDH1A1TP53GLA | |
| SCHEMBL21564924 | 0.86 | HDAC10 (0.36) | BRD4MAPK8TP53HDAC10HDAC6 | |
| SCHEMBL20157852 | 0.84 | BRD4 (0.36) | BRD4EPAS1HDAC10HDAC6 | |
| SCHEMBL21550141 | 0.84 | PKM (0.36) | HPGDHTTHDAC10HDAC6 | |
| SCHEMBL21550059 | 0.83 | NAMPT (0.33) | BRD4ALDH1A1TP53GLAMAPT | |
| SCHEMBL20157907 | 0.82 | MAP2K2 (0.37) | BRD4HDAC10HDAC6 | |
| SCHEMBL21362077 | 0.82 | BRD4 (0.40) | BRD4 |
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 |