Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17758068 | 0.90 | PIK3CB (0.37) | CYP2C19CYP3A4PIK3CBCYP2C9RPS6KB1 | |
| SCHEMBL17757618 | 0.81 | CYP3A4 (0.38) | CYP2C19CYP3A4MAPK1CYP2C9RPS6KB1 | |
| SCHEMBL17757560 | 0.80 | CD38 (0.36) | MAPK1RPS6KB1CXCR2 | |
| SCHEMBL17757770 | 0.80 | ACAT2 (0.39) | RPS6KB1CXCR2 | |
| SCHEMBL17757044 | 0.80 | PDE2A (0.38) | CYP1A2CYP2C19ALDH1A1HPGDHSD17B10 | |
| SCHEMBL17757812 | 0.80 | PIK3CB (0.37) | PIK3CBRPS6KB1PIK3CA | |
| SCHEMBL19523217 | 0.79 | PIK3CB (0.40) | CYP1A2CYP2C19ALDH1A1HPGDHSD17B10 | |
| SCHEMBL17757819 | 0.79 | PIK3CB (0.36) | CYP2C19CYP3A4MAPK1PIK3CBCYP2C9 | |
| SCHEMBL17758064 | 0.79 | PIK3CB (0.37) | LMNAPIK3CBPIK3CA | |
| SCHEMBL17758041 | 0.78 | CD38 (0.43) | PIK3CBAURKARPS6KB1PIK3CA |
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 |