Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757572 | 0.90 | ACAT2 (0.40) | ACAT2ROCK2CCNT1KMT2AMAOB | |
| SCHEMBL16410737 | 0.87 | ACAT2 (0.35) | ACAT2CHRM2KMT2AMAOBP2RX7 | |
| SCHEMBL17757890 | 0.80 | PDE7A (0.38) | ACAT2CCNT1KMT2AMAOBP2RX7 | |
| SCHEMBL16410840 | 0.80 | ACAT2 (0.42) | ACAT2CHRM2HTTGSK3BKMT2A | |
| SCHEMBL17757578 | 0.80 | ACAT2 (0.39) | ACAT2KMT2AMAOB | |
| SCHEMBL17757583 | 0.80 | ACAT2 (0.39) | ACAT2HTTCCNT1KMT2AMAOB | |
| SCHEMBL17757791 | 0.79 | ACAT2 (0.49) | ACAT2CCNT1KMT2AMAOBP2RX7 | |
| SCHEMBL16410687 | 0.79 | ACAT2 (0.34) | ACAT2MAOB | |
| SCHEMBL17757066 | 0.78 | PIK3CA (0.40) | ACAT2CCNT1MAOBP2RX7 | |
| SCHEMBL17757828 | 0.78 | CDC7 (0.37) | ACAT2CCNT1KMT2AMAOBP2RX7 |
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-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |