Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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) | PARP1ACAT2 | |
| SCHEMBL17992052 | 0.89 | LMNA (0.31) | PARP1ACAT2LMNA | |
| SCHEMBL17757739 | 0.89 | ACAT2 (0.37) | ROCK2ROCK1PARP1ACAT2 | |
| SCHEMBL17757357 | 0.89 | LMNA (0.31) | LMNA | |
| SCHEMBL17757507 | 0.88 | ICMT (0.31) | PARP1 | |
| SCHEMBL17757087 | 0.88 | APP (0.35) | LMNA | |
| SCHEMBL19523102 | 0.88 | PARP1 (0.41) | ROCK2ROCK1PARP1 | |
| SCHEMBL17758049 | 0.86 | ACAT2 (0.43) | ACAT2LMNA | |
| SCHEMBL17757846 | 0.86 | LMNA (0.39) | ACAT2LMNA | |
| SCHEMBL17757381 | 0.85 | HRH3 (0.34) | PARP1ACAT2LMNA |
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 |