Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.34 |
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410792 | 0.89 | KMT2A (0.38) | KMT2APDE7AACAT2 | |
| SCHEMBL17757639 | 0.89 | GAA (0.37) | PDE7AACAT2NPC1RAB9AGAA | |
| SCHEMBL16410747 | 0.89 | PDE7A (0.38) | KMT2APDE7AACAT2NPC1RAB9A | |
| SCHEMBL16410824 | 0.89 | PDE7A (0.38) | KMT2APDE7AACAT2NPC1RAB9A | |
| SCHEMBL17757643 | 0.80 | KMT2A (0.40) | KMT2APDE7ATSHRCYP3A4CYP2D6 | |
| SCHEMBL17757626 | 0.80 | KMT2A (0.40) | KMT2APDE7ATSHRCYP3A4CYP2D6 | |
| SCHEMBL17757638 | 0.80 | KMT2A (0.40) | KMT2APDE7ATSHRCYP3A4CYP2D6 | |
| SCHEMBL16410700 | 0.79 | ACAT2 (0.38) | KMT2AACAT2MEN1TSHRCYP2D6 | |
| SCHEMBL17757212 | 0.79 | ACAT2 (0.46) | ACAT2NPC1RAB9AGAATSHR | |
| SCHEMBL16410785 | 0.78 | PIK3CB (0.31) | — |
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 |