Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | CD38 | P28907 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410709 | 0.83 | CD38 (0.34) | HDAC1HDAC3HDAC2HDAC6NPC1 | |
| SCHEMBL16410682 | 0.69 | HDAC1 (0.39) | HDAC1ROCK2CNR1HDAC3HDAC2 | |
| SCHEMBL16410685 | 0.68 | TSHR (0.33) | SMN1; SMN2CNR1CNR2 | |
| SCHEMBL16410695 | 0.66 | — | — | |
| SCHEMBL16410626 | 0.66 | NOS3 (0.34) | — | |
| SCHEMBL16410780 | 0.65 | MEN1 (0.35) | P2RX7 | |
| SCHEMBL16410779 | 0.65 | CYP3A4 (0.35) | ROCK2CNR1CD38 | |
| SCHEMBL16410678 | 0.65 | CNR1 (0.31) | CNR1CNR2 | |
| SCHEMBL16410729 | 0.65 | — | — | |
| SCHEMBL16410774 | 0.64 | MEN1 (0.36) | P2RX7 |
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 |