Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | FSHR | P23945 | 4/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.30 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410774 | 0.81 | MEN1 (0.36) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL16410780 | 0.79 | MEN1 (0.35) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL16410776 | 0.78 | NOS3 (0.35) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL16410732 | 0.77 | NOS3 (0.31) | NOS3NOS1NOS2 | |
| SCHEMBL16410626 | 0.76 | NOS3 (0.34) | NOS3NOS1NOS2 | |
| SCHEMBL16410683 | 0.74 | PIK3CA (0.32) | P2RX7 | |
| SCHEMBL16410561 | 0.71 | TSHR (0.39) | CYP3A4CYP2C9CYP2C19KMT2ATSHR | |
| SCHEMBL16410718 | 0.70 | PIK3CA (0.34) | CYP3A4CYP2C19P2RX7NOS3NOS1 | |
| SCHEMBL16410642 | 0.70 | BACE1 (0.30) | — | |
| SCHEMBL16410701 | 0.69 | PIK3CA (0.33) | P2RX7NOS3NOS1NOS2 |
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 |