Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.33 |
| ▸ | TSHR | P16473 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17992119 | 0.90 | APP (0.38) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL17757515 | 0.88 | ACAT2 (0.39) | APPMAPTKMT2ALMNA | |
| SCHEMBL17757114 | 0.87 | ACAT2 (0.39) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL17757294 | 0.86 | CTSB (0.39) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL17757044 | 0.85 | PDE2A (0.38) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL17757087 | 0.85 | APP (0.35) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19934612 | 0.84 | APP (0.34) | APPCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL17757630 | 0.78 | KMT2A (0.41) | MAPK1KDM4EMAPTKMT2AHIF1A | |
| SCHEMBL17757217 | 0.78 | TACR1 (0.37) | MAPK1KDM4EMAPTKMT2ACTSB | |
| SCHEMBL17757475 | 0.77 | ACAT2 (0.43) | APPMAPTKMT2ALMNA |
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-3021847-B1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) | 2023-06-07 | — | — | EP | disclosed |