Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 5/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410563 | 0.78 | TP53 (0.38) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL16410801 | 0.77 | P2RX7 (0.31) | P2RX7 | |
| SCHEMBL17757611 | 0.70 | PTK2 (0.40) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL17757582 | 0.70 | PTK2 (0.40) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL17757781 | 0.70 | ACAT2 (0.40) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL17757065 | 0.69 | DYRK1B (0.39) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL16410671 | 0.69 | HDAC1 (0.33) | HDAC1HDAC3HDAC2HDAC6ROCK2 | |
| SCHEMBL16410725 | 0.68 | KDM4E (0.40) | ROCK1NPC1 | |
| SCHEMBL17757612 | 0.68 | VNN1 (0.43) | HDAC1MAPK3MAPK1HDAC3HDAC2 | |
| SCHEMBL17757571 | 0.67 | VNN1 (0.43) | HDAC1MAPK3MAPK1HDAC3HDAC2 |
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 |