Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | PDE7B | Q9NP56 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757462 | 0.90 | CCNT1 (0.37) | PDE7AKMT2ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL16410606 | 0.85 | ACAT2 (0.40) | PDE7AKMT2ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL16410779 | 0.82 | CYP3A4 (0.35) | CYP3A4CYP2C19CYP2C9NOS3NOS1 | |
| SCHEMBL16410782 | 0.81 | ACAT2 (0.34) | PDE7AKMT2ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL17757772 | 0.80 | ACAT2 (0.41) | KMT2ACCNT1CDK9HTR2B | |
| SCHEMBL17757552 | 0.80 | FABP4 (0.35) | KMT2ACCNT1CDK9MEN1HTR2B | |
| SCHEMBL16410559 | 0.80 | NOS3 (0.34) | PDE7AKMT2ACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL16410840 | 0.80 | ACAT2 (0.42) | KMT2ANOS3NOS1NOS2MAPT | |
| SCHEMBL17758043 | 0.80 | PIK3CA (0.39) | CYP3A4CYP2C19CCNT1CDK9CYP2D6 | |
| SCHEMBL17757476 | 0.79 | PDE7A (0.38) | PDE7AKMT2ACYP3A4CYP2C19CYP2C9 |
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 |