Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 9/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 4/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30995193 | 1.00 | CYP11B2 (0.40) | CYP11B2CYP11B1NOS3NOS1NOS2 | |
| SCHEMBL30995117 | 0.94 | CYP11B2 (0.44) | CYP11B2CYP11B1CDC7CDK2 | |
| SCHEMBL31438053 | 0.82 | CYP11B2 (0.39) | CYP11B2CYP11B1PRKACAGSK3BROCK1 | |
| SCHEMBL30995241 | 0.78 | CYP11B2 (0.48) | CYP11B2CYP11B1KDM2BKDM4EALDH1A1 | |
| SCHEMBL30995223 | 0.78 | ROCK1 (0.46) | PRKACARPS6KB1GSK3BROCK1KDM4E | |
| SCHEMBL17583042 | 0.77 | CYP11B2 (0.52) | CYP11B2CYP11B1PRKACAJAK2MAP4K4 | |
| SCHEMBL30995183 | 0.77 | PRKACA (0.37) | NOS3NOS1NOS2PRKACARPS6KB1 | |
| SCHEMBL30995162 | 0.77 | CYP11B2 (0.44) | CYP11B2CYP11B1NOS3NOS1NOS2 | |
| SCHEMBL30995107 | 0.76 | KDM2B (0.39) | NOS3NOS1NOS2CDC7KDM2B | |
| SCHEMBL20340036 | 0.76 | CYP11B2 (0.44) | CYP11B2CYP11B1KDM4EALDH1A1TSHR |
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-118530160-A | Aromatic heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-08-23 | — | — | CN | disclosed |