Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410824 | 1.00 | PDE7A (0.38) | PDE7AKMT2AACAT2NPC1RAB9A | |
| SCHEMBL16410758 | 0.89 | KMT2A (0.36) | PDE7AKMT2AACAT2NPC1RAB9A | |
| SCHEMBL17757459 | 0.88 | PDE7A (0.39) | PDE7AKMT2AACAT2NPC1RAB9A | |
| SCHEMBL17757244 | 0.88 | PDE7A (0.39) | PDE7AKMT2AACAT2NPC1RAB9A | |
| SCHEMBL16410733 | 0.87 | POLB (0.36) | PDE7AKMT2AACAT2 | |
| SCHEMBL16410615 | 0.87 | KMT2A (0.36) | PDE7AKMT2AACAT2NPC1RAB9A | |
| SCHEMBL16410752 | 0.87 | PDE7A (0.35) | PDE7AKMT2AACAT2MAPT | |
| SCHEMBL16410711 | 0.85 | SMN1; SMN2 (0.37) | KMT2AMEN1TP53PDE7BP2RX7 | |
| SCHEMBL16410790 | 0.84 | LMNA (0.36) | PDE7AKMT2AACAT2MEN1TP53 | |
| SCHEMBL16410739 | 0.84 | KMT2A (0.39) | PDE7AKMT2AACAT2NPC1RAB9A |
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 |