Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | ACAT2 | Q9BWD1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757028 | 0.90 | HDAC6 (0.38) | ICMTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL16410821 | 0.89 | HDAC3 (0.33) | HDAC6HDAC3HDAC1HDAC2ACAT2 | |
| SCHEMBL17757876 | 0.79 | HDAC6 (0.40) | HDAC6HDAC3HDAC1HDAC2ACAT2 | |
| SCHEMBL17757546 | 0.78 | HDAC6 (0.38) | HDAC6HDAC3HDAC1HDAC2ACAT2 | |
| SCHEMBL17757761 | 0.78 | ACAT2 (0.43) | HDAC6HDAC3HDAC1HDAC2ACAT2 | |
| SCHEMBL17757334 | 0.77 | PIK3CA (0.40) | ICMTACAT2 | |
| SCHEMBL16410716 | 0.77 | ACAT2 (0.36) | ICMTACAT2 | |
| SCHEMBL16410637 | 0.76 | DRD2 (0.39) | ICMT | |
| SCHEMBL17757020 | 0.76 | ACAT2 (0.39) | ICMTHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL17757027 | 0.76 | COASY (0.36) | ICMTACAT2 |
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 |