Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20118691 | 0.81 | HSP90AA1 (0.62) | ADORA2AADORA1MAPTKDM4EALDH1A1 | |
| SCHEMBL24437456 | 0.78 | ADORA2A (0.70) | ADORA2AADORA1MAPTKDM4EALDH1A1 | |
| SCHEMBL20118612 | 0.75 | ADORA2A (0.64) | ADORA2AADORA1HSP90AA1TRAP1 | |
| SCHEMBL4452013 | 0.73 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL31385338 | 0.72 | ADORA2A (0.52) | ADORA2AADORA1GAAMAPTKDM4E | |
| SCHEMBL21481606 | 0.72 | ADORA2A (0.52) | ADORA2AADORA1GAAMAPTKDM4E | |
| SCHEMBL23260998 | 0.71 | ADORA2A (0.51) | ADORA2AADORA1MAPTKDM4EALDH1A1 | |
| SCHEMBL4454421 | 0.70 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL20118833 | 0.70 | HSP90AA1 (0.56) | ADORA2AADORA1HSP90AA1TRAP1 | |
| SCHEMBL25546964 | 0.70 | HSP90AA1 (0.66) | ADORA2AADORA1HSP90AA1TRAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023166450-A1 | NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 삼진제약주식회사 | 2023-09-07 | — | — | WO | disclosed |