Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | 0.99 | ADORA2A (0.48) | NPC1RAB9AADORA2ABACE1LMNA | |
| SCHEMBL22755311 | 0.85 | MAPK14 (0.39) | ADORA2ABACE1KMT2AALDH1A1 | |
| SCHEMBL22754927 | 0.85 | KMT2A (0.47) | NPC1RAB9AADORA2ABACE1LMNA | |
| SCHEMBL22755000 | 0.85 | NPC1 (0.48) | NPC1RAB9AADORA2ABACE1LMNA | |
| SCHEMBL22755082 | 0.84 | ADORA2A (0.38) | NPC1RAB9AADORA2ABACE1KMT2A | |
| SCHEMBL22755258 | 0.83 | LIPG (0.48) | NPC1RAB9ABACE1ALDH1A1L3MBTL1 | |
| SCHEMBL22755249 | 0.81 | LIPG (0.43) | NPC1RAB9AADORA2ABACE1GAA | |
| SCHEMBL22755067 | 0.81 | MDM4 (0.46) | NPC1RAB9ABACE1KMT2AMEN1 | |
| SCHEMBL22755259 | 0.80 | ALDH1A1 (0.49) | NPC1RAB9AADORA2ABACE1TAS1R3 | |
| SCHEMBL16610115 | 0.80 | NPC1 (0.51) | NPC1RAB9AADORA2ABACE1LMNA |
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 |