Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 4/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL20158163 | 0.81 | — | — | |
| SCHEMBL21362490 | 0.80 | MAPK14 (0.38) | PRMT5WDR77MAPK14MEN1KMT2A | |
| SCHEMBL20157833 | 0.77 | BRD4 (0.31) | BRD4 | |
| SCHEMBL20157861 | 0.76 | EPHX2 (0.33) | BRD4PPARG | |
| SCHEMBL21362065 | 0.74 | BRD4 (0.38) | BRD4 | |
| SCHEMBL21362034 | 0.71 | RAF1 (0.38) | PRMT5WDR77RORCBRD4ACHE | |
| SCHEMBL20157758 | 0.71 | RAF1 (0.40) | RORCBRD4ACHEBACE1RAF1 | |
| SCHEMBL20157708 | 0.71 | — | — | |
| SCHEMBL20157881 | 0.70 | BRD4 (0.36) | BRD4ALDH1A1 | |
| SCHEMBL28859608 | 0.70 | MMP8 (0.39) | CA12CA1CA9RORCBRD4 |
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-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 |