Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 6/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 0.33 |
| ▸ | PDE1A | P54750 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757134 | 0.89 | KMT2A (0.38) | KMT2APDE7APDE5APDE1APDE1B | |
| SCHEMBL16410792 | 0.83 | KMT2A (0.38) | KMT2APDE7APDE5APDE1APDE1B | |
| SCHEMBL17757135 | 0.81 | MAOB (0.38) | KMT2APDE7AAKR1B1 | |
| SCHEMBL17757798 | 0.80 | ACAT2 (0.40) | KMT2AMEN1SMN1; SMN2TSHR | |
| SCHEMBL17757099 | 0.79 | PIK3CB (0.35) | KMT2AMEN1SMN1; SMN2TSHR | |
| SCHEMBL16410739 | 0.78 | KMT2A (0.39) | KMT2APDE7ASMN1; SMN2TSHR | |
| SCHEMBL16410622 | 0.77 | KMT2A (0.37) | KMT2APDE7A | |
| SCHEMBL16410606 | 0.77 | ACAT2 (0.40) | KMT2APDE7A | |
| SCHEMBL16410790 | 0.74 | LMNA (0.36) | KMT2APDE7AMEN1 | |
| SCHEMBL16410687 | 0.74 | ACAT2 (0.34) | — |
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 |