Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 3/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 3/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAP3K6 | O95382 | 2/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.34 |
| ▸ | TAF1 | P21675 | 1/20 | 0.34 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | 0.86 | ADORA2A (0.48) | ADORA2ABACE1KMT2AALDH1A1NPC1 | |
| SCHEMBL22754845 | 0.84 | NPC1 (0.50) | ADORA2ABACE1KMT2AALDH1A1NPC1 | |
| SCHEMBL22755311 | 0.83 | MAPK14 (0.39) | ADORA2AADORA1BTKBACE1CD38 | |
| SCHEMBL22755258 | 0.80 | LIPG (0.48) | BTKBACE1ALDH1A1NPC1RAB9A | |
| SCHEMBL22755092 | 0.78 | BACE1 (0.41) | ADORA2AADORA1BTKBACE1CD38 | |
| SCHEMBL22755255 | 0.77 | CD38 (0.42) | CD38CNR2 | |
| SCHEMBL22755067 | 0.76 | MDM4 (0.46) | BACE1KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL22755070 | 0.76 | CNR2 (0.32) | CNR2 | |
| SCHEMBL22755022 | 0.75 | LIPG (0.40) | ADORA2ABTKBACE1NPC1RAB9A | |
| SCHEMBL22755368 | 0.75 | MTNR1A (0.49) | ADORA2ABTKBACE1ALDH1A1NPC1 |
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 |