Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30033577 | 0.89 | CYP11B1 (0.39) | BCAT2BCAT1PGRHSP90AA1MALT1 | |
| SCHEMBL30032253 | 0.88 | DDR1 (0.40) | BCAT2BCAT1HSP90AA1MALT1CYP11B1 | |
| SCHEMBL30032960 | 0.87 | HSP90AA1 (0.36) | BCAT2BCAT1HSP90AA1ALDH1A1L3MBTL1 | |
| SCHEMBL30033454 | 0.85 | MALT1 (0.44) | ALDH1A1L3MBTL1MALT1MEN1MAPT | |
| SCHEMBL30032902 | 0.83 | HSP90AA1 (0.48) | HSP90AA1NPEPPSCYP1A2MEN1CYP3A4 | |
| SCHEMBL30033336 | 0.82 | GRIN1 (0.39) | HSP90AA1MALT1CYP17A1 | |
| SCHEMBL30033551 | 0.80 | ALDH1A1 (0.40) | BCAT2BCAT1HSP90AA1ALDH1A1L3MBTL1 | |
| SCHEMBL30034350 | 0.79 | NPEPPS (0.42) | PGRHSP90AA1NPEPPSCYP1A2MEN1 | |
| SCHEMBL30033636 | 0.76 | CYP11B1 (0.40) | ALDH1A1L3MBTL1CYP11B1CYP11B2NPEPPS | |
| SCHEMBL30033591 | 0.75 | NPEPPS (0.40) | BCAT2BCAT1HSP90AA1MALT1CYP11B1 |
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-2022224223-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES | NOVARTIS AG (CH) | 2022-10-27 | — | — | WO | disclosed |