Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410557 | 0.88 | TP53 (0.38) | TP53CNR1CNR2CYP3A4CYP2C9 | |
| SCHEMBL16410606 | 0.84 | ACAT2 (0.40) | TP53CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17757604 | 0.83 | VNN1 (0.45) | TP53CNR1HDAC1CYP3A4CYP2C9 | |
| SCHEMBL17757603 | 0.83 | PTK2 (0.41) | TP53CNR1HDAC1CYP3A4CYP2C9 | |
| SCHEMBL16410782 | 0.81 | ACAT2 (0.34) | CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL16410798 | 0.79 | MAOA (0.35) | CYP3A4CYP2C9CYP2C19MAPK1NPC1 | |
| SCHEMBL16410559 | 0.79 | NOS3 (0.34) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17757589 | 0.79 | WDR5 (0.40) | TP53CNR1HDAC1CNR2CYP3A4 | |
| SCHEMBL16410840 | 0.79 | ACAT2 (0.42) | GSK3B | |
| SCHEMBL17757612 | 0.78 | VNN1 (0.43) | TP53CNR1HDAC1CNR2CYP3A4 |
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 |