Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GNPAT | O15228 | 1/20 | 0.39 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413859 | 0.95 | CYP1A2 (0.52) | CYP1A2ALDH1A1LTA4HBLMEPHX2 | |
| SCHEMBL21256094 | 0.89 | CYP1A2 (0.57) | CYP1A2ALDH1A1LTA4HGABRR1NAALAD2 | |
| SCHEMBL21675612 | 0.85 | ALDH1A1 (0.52) | ALDH1A1EPHX2CASP2ADRA1AFOLH1 | |
| SCHEMBL13706976 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL13706974 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL12891252 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL16944361 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL12666256 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL12891255 | 0.85 | EPHX2 (0.54) | CYP1A2LTA4HEPHX2CASP2ADRA1A | |
| SCHEMBL13706988 | 0.83 | EPHX2 (0.52) | CYP1A2LTA4HEPHX2ADRA1ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622535-B | A kind of preparation method of LCZ696 | 重庆两江药物研发中心有限公司 | 2018-08-03 | — | — | CN | disclosed |