Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410633 | 0.82 | ACAT2 (0.37) | ACAT2KDM4EAKT2KMT2A | |
| SCHEMBL16410751 | 0.82 | — | — | |
| SCHEMBL16410747 | 0.81 | PDE7A (0.38) | ACAT2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16410824 | 0.81 | PDE7A (0.38) | ACAT2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16410691 | 0.79 | CXCR4 (0.30) | CXCR4 | |
| SCHEMBL16410538 | 0.79 | KMT2A (0.32) | KMT2A | |
| SCHEMBL16410663 | 0.78 | HTR1A (0.30) | — | |
| SCHEMBL17757425 | 0.77 | PDE7A (0.39) | CXCR4ACAT2KDM4EALDH1A1POLB | |
| SCHEMBL17757176 | 0.76 | ACAT2 (0.47) | CXCR4ACAT2KDM4EALDH1A1POLB | |
| SCHEMBL17757229 | 0.76 | PIK3CA (0.40) | CXCR4ACAT2ALDH1A1CYP1A2GLA |
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-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |