Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157320 | 0.92 | EPHX2 (0.41) | MAPTTP53SMN1; SMN2HTTNPSR1 | |
| SCHEMBL20157374 | 0.85 | EPHX2 (0.41) | MAPTTP53SMN1; SMN2HTTNPSR1 | |
| SCHEMBL20158068 | 0.82 | CREBBP (0.34) | MAPTTP53ALDH1A1KCNA5RAF1 | |
| SCHEMBL20157810 | 0.80 | BRD4 (0.46) | SMN1; SMN2BRD4ALDH1A1LMNAKCNA5 | |
| SCHEMBL20157348 | 0.79 | HDAC10 (0.35) | TP53SMN1; SMN2HTTNPSR1BRD4 | |
| SCHEMBL20157896 | 0.77 | BRD4 (0.35) | MAPTBRD4KCNA5RAF1BRAF | |
| SCHEMBL21352057 | 0.76 | BRD4 (0.34) | SMN1; SMN2BRD4ALDH1A1KCNA5PTGS2 | |
| SCHEMBL21362121 | 0.75 | BRD4 (0.34) | BRD4RAF1BRAF | |
| SCHEMBL21362034 | 0.75 | RAF1 (0.38) | BRD4KCNA5RAF1BRAF | |
| SCHEMBL20157758 | 0.75 | RAF1 (0.40) | BRD4RAF1BRAF |
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 2 patents. 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 |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |