Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 2/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CLPP | Q16740 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410633 | 0.89 | ACAT2 (0.37) | ACAT2NOS3NOS1NOS2MAOB | |
| SCHEMBL16410606 | 0.89 | ACAT2 (0.40) | ACAT2TP53NOS3NOS1NOS2 | |
| SCHEMBL16410840 | 0.85 | ACAT2 (0.42) | ACAT2NOS3NOS1NOS2KMT2A | |
| SCHEMBL16410679 | 0.81 | ACAT2 (0.40) | ACAT2NOS3NOS1NOS2MAOB | |
| SCHEMBL16410598 | 0.81 | ACAT2 (0.36) | ACAT2NOS3NOS1NOS2KMT2A | |
| SCHEMBL16410657 | 0.81 | ACAT2 (0.33) | ACAT2MAOBHTR6KMT2AMETAP2 | |
| SCHEMBL17757008 | 0.81 | HRH4 (0.38) | ACAT2MAOBHTR6PIK3CAPIK3CB | |
| SCHEMBL17757005 | 0.80 | HRH4 (0.37) | ACAT2TP53MAOBHTR6PIK3CA | |
| SCHEMBL16410538 | 0.80 | KMT2A (0.32) | KMT2A | |
| SCHEMBL16410769 | 0.80 | ACAT2 (0.36) | ACAT2NOS3NOS1NOS2KMT2A |
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 |