Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967526 | 0.94 | CHRM1 (0.45) | FFAR4CHRM1PRKAG1PRKAA2PRKAB1 | |
| SCHEMBL29967941 | 0.88 | PIK3CD (0.36) | CNR2PIK3CDPIK3CAPIK3CBPARP1 | |
| SCHEMBL29967862 | 0.86 | PIK3CD (0.37) | CNR2PIK3CDPIK3CAPIK3CBACMSD | |
| SCHEMBL29968235 | 0.85 | PSMB5 (0.41) | PIK3CDPIK3CAPIK3CBPARP1 | |
| SCHEMBL29967810 | 0.83 | PIK3CD (0.37) | CNR2PIK3CDPIK3CAPIK3CBPARP1 | |
| SCHEMBL29967779 | 0.83 | PTGS2 (0.38) | CNR2PIK3CDPIK3CAPIK3CBPARP1 | |
| SCHEMBL29968248 | 0.81 | PIK3CD (0.41) | CNR2PIK3CDPIK3CAPIK3CBACMSD | |
| SCHEMBL28871252 | 0.81 | PIK3CD (0.41) | CNR2PIK3CDPIK3CAPIK3CBACMSD | |
| SCHEMBL29968177 | 0.80 | PTGS2 (0.39) | CNR2PIK3CDPIK3CAPIK3CB | |
| SCHEMBL8651802 | 0.79 | CHRM1 (0.49) | ALDH1A1MAPTCHRM1PRKAG1PRKAA2 |
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 |