Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534222 | 1.00 | CYP11B1 (0.37) | CYP11B1CYP11B2GAAL3MBTL1ADAMTS4 | |
| SCHEMBL2744804 | 0.82 | MEN1 (0.49) | ADAMTS4BACE1 | |
| SCHEMBL29935519 | 0.78 | HDAC2 (0.43) | CYP11B1CYP11B2PDGFRBPDGFRA | |
| SCHEMBL22534298 | 0.78 | HDAC2 (0.43) | CYP11B1CYP11B2PDGFRBPDGFRA | |
| SCHEMBL28470805 | 0.76 | SCN9A (0.39) | BACE1 | |
| SCHEMBL28901020 | 0.76 | HRH3 (0.43) | — | |
| SCHEMBL22534212 | 0.74 | PRNP (0.38) | CYP11B1CYP11B2GAAL3MBTL1 | |
| SCHEMBL29935415 | 0.74 | PRNP (0.38) | CYP11B1CYP11B2GAAL3MBTL1 | |
| SCHEMBL28476341 | 0.74 | ALOX15 (0.42) | CYP11B1CYP11B2GAAPDGFRBPDGFRA | |
| SCHEMBL7046801 | 0.72 | KDM1A (0.48) | — |
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-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |