Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | 0.91 | TSHR (0.37) | ACAT2PARP1NOS1NOS2KDM4E | |
| SCHEMBL17992063 | 0.89 | ACAT2 (0.36) | ACAT2PARP1 | |
| SCHEMBL17757089 | 0.89 | ROCK2 (0.33) | ACAT2PARP1ROCK2ROCK1 | |
| SCHEMBL17757507 | 0.89 | ICMT (0.31) | PARP1 | |
| SCHEMBL17757737 | 0.88 | ACAT2 (0.33) | ACAT2KDM4EMAPT | |
| SCHEMBL17757294 | 0.87 | CTSB (0.39) | ACAT2MAPT | |
| SCHEMBL19523241 | 0.87 | PARP1 (0.42) | PARP1ROCK2ROCK1KDM4EMAPT | |
| SCHEMBL17757203 | 0.85 | ACAT2 (0.38) | ACAT2ROCK1KDM4EMAPT | |
| SCHEMBL17757281 | 0.85 | ACAT2 (0.53) | ACAT2MAPT | |
| SCHEMBL17757292 | 0.85 | ACAT2 (0.38) | ACAT2 |
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 |