Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 6/20 | 0.39 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22755113 | 0.87 | ADORA2A (0.48) | ADORA2ABACE1ALDH1A1KMT2A | |
| SCHEMBL22754845 | 0.85 | NPC1 (0.50) | ADORA2ABACE1ALDH1A1KMT2A | |
| SCHEMBL22755082 | 0.83 | ADORA2A (0.38) | MAPK14ADORA2ABACE1CD38ADORA1 | |
| SCHEMBL22755258 | 0.79 | LIPG (0.48) | BACE1ALDH1A1BTK | |
| SCHEMBL22755067 | 0.77 | MDM4 (0.46) | BACE1ALDH1A1KMT2A | |
| SCHEMBL22755092 | 0.76 | BACE1 (0.41) | ADORA2ABACE1CD38ADORA1KMT2A | |
| SCHEMBL22755022 | 0.76 | LIPG (0.40) | ADORA2ABACE1BTK | |
| SCHEMBL22755368 | 0.76 | MTNR1A (0.49) | MAOAMAOBADORA2ABACE1ALDH1A1 | |
| SCHEMBL22755255 | 0.76 | CD38 (0.42) | CD38 | |
| SCHEMBL22755070 | 0.74 | CNR2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |