Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757728 | 0.89 | ACAT2 (0.39) | ACAT2EGFR | |
| SCHEMBL17758060 | 0.88 | STAT6 (0.32) | EGFR | |
| SCHEMBL17757081 | 0.88 | EGFR (0.30) | EGFR | |
| SCHEMBL17757132 | 0.88 | PIM1 (0.34) | KMT2APDE7AACAT2 | |
| SCHEMBL17757244 | 0.87 | PDE7A (0.39) | CYP3A4CYP2C19KMT2APDE7AACAT2 | |
| SCHEMBL17757459 | 0.87 | PDE7A (0.39) | CYP3A4CYP2C19KMT2APDE7AACAT2 | |
| SCHEMBL17757118 | 0.86 | ACAT2 (0.37) | KMT2APDE7AACAT2 | |
| SCHEMBL17757236 | 0.86 | KMT2A (0.48) | CYP3A4CYP2C19KMT2A | |
| SCHEMBL17757250 | 0.86 | ALDH1A1 (0.33) | KMT2APDE7AACAT2EGFR | |
| SCHEMBL17757469 | 0.84 | HDAC3 (0.35) | KMT2APDE7A |
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-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |