Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 6/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757628 | 0.90 | MAOB (0.36) | MAOAMAOBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410624 | 0.89 | SMN1; SMN2 (0.38) | MAOAMAOBNPC1TSHRMAPK1 | |
| SCHEMBL16410782 | 0.85 | ACAT2 (0.34) | MAOBCYP3A4CYP2C9CYP2C19OPRM1 | |
| SCHEMBL16410606 | 0.84 | ACAT2 (0.40) | CYP3A4CYP2C9CYP2C19OPRM1ACAT2 | |
| SCHEMBL16410559 | 0.83 | NOS3 (0.34) | CYP3A4CYP2C9CYP2C19ACAT2NOS3 | |
| SCHEMBL17757510 | 0.82 | ACAT2 (0.43) | MAOAMAOBTERTACAT2DRD2 | |
| SCHEMBL16410858 | 0.82 | PIK3CA (0.35) | MAOBCYP3A4CYP2C19OPRM1ACAT2 | |
| SCHEMBL16410629 | 0.81 | PIK3CA (0.36) | MAOBCYP3A4CYP2C19OPRM1ACAT2 | |
| SCHEMBL16410612 | 0.81 | ACAT2 (0.33) | CYP3A4CYP2C9CYP2C19ACAT2NOS3 | |
| SCHEMBL25664502 | 0.81 | FFAR1 (0.36) | MAOAMAOBGHSR |
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 |