Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 5/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968235 | 0.93 | PSMB5 (0.41) | PTGS2PIK3CDPIK3CAPIK3CBPSMB5 | |
| SCHEMBL29968177 | 0.91 | PTGS2 (0.39) | PTGS2PIK3CDPIK3CAPIK3CBPSMB5 | |
| SCHEMBL29967862 | 0.89 | PIK3CD (0.37) | PTGS2PIK3CDPIK3CAPIK3CBNLRP3 | |
| SCHEMBL29967810 | 0.88 | PIK3CD (0.37) | PTGS2PIK3CDPIK3CAPIK3CBNLRP3 | |
| SCHEMBL29967941 | 0.87 | PIK3CD (0.36) | PTGS2PIK3CDPIK3CAPIK3CBCNR2 | |
| SCHEMBL29967526 | 0.84 | CHRM1 (0.45) | PIK3CDPIK3CAPIK3CBCNR2PARP1 | |
| SCHEMBL29967696 | 0.83 | FFAR4 (0.41) | PIK3CDPIK3CAPIK3CBCNR2PARP1 | |
| SCHEMBL29967926 | 0.82 | PTGS2 (0.41) | PTGS2PSMB5CNR2FFAR2PARP1 | |
| SCHEMBL8818793 | 0.80 | ADORA3 (0.51) | PIK3CDPIK3CAPIK3CBADORA3ADORA2A | |
| SCHEMBL29967682 | 0.79 | PTGS2 (0.39) | PTGS2PSMB5ADORA3ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |