Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CBLB | Q13191 | 3/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757225 | 0.89 | HDAC3 (0.34) | SLC6A2SLC6A4ALDH1A1CYP2D6KMT2A | |
| SCHEMBL16410831 | 0.88 | MAPT (0.32) | SLC6A2SLC6A4ALDH1A1MAPTSLC6A3 | |
| SCHEMBL16410800 | 0.81 | BRD4 (0.35) | KMT2A | |
| SCHEMBL16410745 | 0.80 | TAAR1 (0.35) | KMT2AMAPTKDM4E | |
| SCHEMBL16410791 | 0.78 | ACAT2 (0.33) | — | |
| SCHEMBL17757469 | 0.78 | HDAC3 (0.35) | SLC6A2SLC6A4ALDH1A1KMT2AMAPT | |
| SCHEMBL16410722 | 0.78 | OGA (0.32) | SLC6A2ALDH1A1CYP2D6KMT2AMAPT | |
| SCHEMBL17757296 | 0.78 | SLC6A2 (0.39) | SLC6A2SLC6A4ALDH1A1CYP2D6MAPT | |
| SCHEMBL16410796 | 0.77 | ACAT2 (0.30) | — | |
| SCHEMBL16410795 | 0.77 | — | — |
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 |