Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CD38 | P28907 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22755275 | 0.88 | BACE1 (0.41) | BACE1BTKCNR2CNR1NPC1 | |
| SCHEMBL22755258 | 0.84 | LIPG (0.48) | BACE1BTKNPC1RAB9A | |
| SCHEMBL22755113 | 0.81 | ADORA2A (0.48) | BACE1NPC1RAB9AKMT2AADORA2A | |
| SCHEMBL22755067 | 0.80 | MDM4 (0.46) | BACE1EPHX2CNR2NPC1RAB9A | |
| SCHEMBL22754845 | 0.80 | NPC1 (0.50) | BACE1NPC1RAB9AKMT2AADORA2A | |
| SCHEMBL22755022 | 0.80 | LIPG (0.40) | BACE1BTKCNR2NPC1RAB9A | |
| SCHEMBL22755255 | 0.79 | CD38 (0.42) | CD38EPHX2CNR2 | |
| SCHEMBL22754968 | 0.78 | BTK (0.47) | BTK | |
| SCHEMBL22755082 | 0.78 | ADORA2A (0.38) | BACE1CD38BTKCNR2NPC1 | |
| SCHEMBL22755368 | 0.77 | MTNR1A (0.49) | BACE1BTKNPC1RAB9AADORA2A |
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 |