Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877270 | 0.80 | PIK3CA (0.38) | ADORA2AADORA1APPPIK3CAPIK3CD | |
| SCHEMBL24003191 | 0.78 | APP (0.38) | ADORA2AADORA1APPPIK3CAPIK3CD | |
| SCHEMBL28877326 | 0.78 | GPR35 (0.30) | — | |
| SCHEMBL28877261 | 0.74 | PDE3B (0.40) | ADORA2AADORA1APPPIK3CAPIK3CD | |
| SCHEMBL22857643 | 0.72 | PIK3CD (0.45) | ADORA2AADORA1APPPIK3CAPIK3CD | |
| SCHEMBL28877245 | 0.72 | ADORA1 (0.42) | ADORA2AADORA1 | |
| SCHEMBL28877263 | 0.71 | KDM4E (0.40) | ADORA2AADORA1 | |
| SCHEMBL28877292 | 0.69 | — | — | |
| SCHEMBL4075180 | 0.69 | DCK (0.43) | ADORA2AADORA1APPPIK3CAPIK3CD | |
| SCHEMBL24003193 | 0.67 | PIK3CD (0.34) | ADORA2AADORA1APPPIK3CAPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260245-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2022-11-01 | — | — | CN | disclosed |