Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | TAOK1 | Q7L7X3 | 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 | |
|---|---|---|---|---|
| SCHEMBL22755285 | 0.83 | TAS1R3 (0.48) | LMNAALDH1A1 | |
| SCHEMBL22755366 | 0.82 | MTNR1A (0.46) | MTNR1AMTNR1BNPC1RAB9ALMNA | |
| SCHEMBL22755113 | 0.81 | ADORA2A (0.48) | NPC1RAB9ALMNABACE1ADORA2A | |
| SCHEMBL22755258 | 0.80 | LIPG (0.48) | NPC1RAB9ABACE1ALDH1A1BTK | |
| SCHEMBL22754845 | 0.79 | NPC1 (0.50) | NPC1RAB9ALMNABACE1ADORA2A | |
| SCHEMBL22755022 | 0.79 | LIPG (0.40) | NPC1RAB9ABACE1ADORA2ABTK | |
| SCHEMBL22755249 | 0.78 | LIPG (0.43) | NPC1RAB9ABACE1ADORA2AHPGD | |
| SCHEMBL22755112 | 0.78 | LIPG (0.43) | NPC1RAB9ABACE1ADORA2AHPGD | |
| SCHEMBL22755067 | 0.78 | MDM4 (0.46) | NPC1RAB9ABACE1ALDH1A1 | |
| SCHEMBL22755311 | 0.76 | MAPK14 (0.39) | BACE1ADORA2AALDH1A1MAOAMAOB |
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 |