Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 6/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967862 | 0.93 | PIK3CD (0.37) | PIK3CDPIK3CAPIK3CBPTGS2CNR2 | |
| SCHEMBL29968235 | 0.90 | PSMB5 (0.41) | PIK3CDPIK3CAPIK3CBPTGS2POLB | |
| SCHEMBL29967696 | 0.88 | FFAR4 (0.41) | PIK3CDPIK3CAPIK3CBCNR2PARP1 | |
| SCHEMBL29967779 | 0.87 | PTGS2 (0.38) | PIK3CDPIK3CAPIK3CBPTGS2CNR2 | |
| SCHEMBL29967810 | 0.87 | PIK3CD (0.37) | PIK3CDPIK3CAPIK3CBRAD52PTGS2 | |
| SCHEMBL29967526 | 0.86 | CHRM1 (0.45) | PIK3CDPIK3CAPIK3CBCNR2PARP1 | |
| SCHEMBL29968177 | 0.85 | PTGS2 (0.39) | PIK3CDPIK3CAPIK3CBPTGS2CNR2 | |
| SCHEMBL29968248 | 0.79 | PIK3CD (0.41) | PIK3CDPIK3CAPIK3CBCNR2PARP1 | |
| SCHEMBL29967926 | 0.78 | PTGS2 (0.41) | PTGS2CNR2PARP1 | |
| SCHEMBL29968000 | 0.76 | DHODH (0.48) | PTGS2CNR2PARP1PDE10A |
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 |