Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 7/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 6/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.32 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723672 | 0.72 | PSMB5 (0.37) | CDK2 | |
| SCHEMBL20448631 | 0.71 | PIK3CD (0.37) | DYRK1APIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL2712585 | 0.70 | CYP11B2 (0.46) | DYRK1APIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17686085 | 0.70 | PIK3CA (0.47) | DYRK1APIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL6291238 | 0.69 | — | — | |
| SCHEMBL18857842 | 0.66 | MAPK14 (0.47) | PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1 | |
| SCHEMBL31704858 | 0.66 | CYP11B2 (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGCYP11B2 | |
| SCHEMBL31706135 | 0.66 | CYP11B2 (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGCYP11B2 | |
| SCHEMBL6095188 | 0.66 | — | — | |
| SCHEMBL18248008 | 0.64 | PIK3CD (0.43) | DYRK1APIK3CDPIK3CAPIK3CBPIK3CG |
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-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | claimed |
| CN-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | disclosed |