Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757116 | 0.90 | TSHR (0.37) | PARP1 | |
| SCHEMBL17992071 | 0.89 | ICMT (0.31) | ICMTPARP1PIK3CB | |
| SCHEMBL17757739 | 0.89 | ACAT2 (0.37) | PARP1 | |
| SCHEMBL17757540 | 0.89 | GAA (0.34) | — | |
| SCHEMBL17757089 | 0.88 | ROCK2 (0.33) | PARP1 | |
| SCHEMBL17757044 | 0.88 | PDE2A (0.38) | ICMTPIK3CB | |
| SCHEMBL19523252 | 0.88 | PARP1 (0.41) | ICMTPARP1 | |
| SCHEMBL17757836 | 0.86 | HTT (0.38) | PIK3CB | |
| SCHEMBL17757218 | 0.85 | HRH3 (0.34) | PARP1PIK3CB | |
| SCHEMBL17757334 | 0.85 | PIK3CA (0.40) | ICMTPIK3CB |
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 |