Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410749 | 0.82 | TSHR (0.33) | KMT2ALMNANPC1HTTRAB9A | |
| SCHEMBL16410615 | 0.81 | KMT2A (0.36) | KMT2ANPC1RAB9A | |
| SCHEMBL19523285 | 0.81 | HIF1A (0.42) | LMNANPC1HTTRAB9A | |
| SCHEMBL16410747 | 0.80 | PDE7A (0.38) | KMT2ANPC1RAB9AGAA | |
| SCHEMBL16410824 | 0.80 | PDE7A (0.38) | KMT2ANPC1RAB9AGAA | |
| SCHEMBL16410733 | 0.79 | POLB (0.36) | KMT2ALMNAPOLB | |
| SCHEMBL17757866 | 0.78 | HIF1A (0.39) | KMT2APOLB | |
| SCHEMBL16410640 | 0.77 | MAOA (0.36) | KMT2A | |
| SCHEMBL16410739 | 0.77 | KMT2A (0.39) | KMT2ALMNANPC1RAB9AGAA | |
| SCHEMBL16410622 | 0.76 | KMT2A (0.37) | KMT2ANPC1RAB9AGAA |
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 |