Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT6 | P42226 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757496 | 0.89 | PIM1 (0.35) | — | |
| SCHEMBL17757849 | 0.88 | CYP3A4 (0.34) | EGFR | |
| SCHEMBL17757728 | 0.87 | ACAT2 (0.39) | EGFR | |
| SCHEMBL17757325 | 0.87 | PIK3CA (0.39) | — | |
| SCHEMBL17757081 | 0.86 | EGFR (0.30) | EGFR | |
| SCHEMBL17757324 | 0.86 | CYP2A13 (0.36) | ATM | |
| SCHEMBL17757340 | 0.86 | CYP2A13 (0.36) | STAT6 | |
| SCHEMBL17757337 | 0.86 | CYP2A13 (0.36) | — | |
| SCHEMBL17757494 | 0.84 | — | — | |
| SCHEMBL17757225 | 0.84 | HDAC3 (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-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 |