Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587494 | 1.00 | CRHBP (0.48) | CRHBPCRHR2PDE4BPDE4APDE4C | |
| SCHEMBL8157958 | 0.84 | CRHBP (0.45) | CRHBPCRHR2PDE4BPDE4APDE4C | |
| SCHEMBL7112114 | 0.83 | CRHBP (0.43) | CRHBPCRHR2ALOX5ESR2ESR1 | |
| SCHEMBL9348187 | 0.81 | ALOX5 (0.46) | PDE4BPDE4APDE4CPDE4DALOX5 | |
| SCHEMBL31275930 | 0.81 | ALOX5 (0.46) | PDE4BPDE4APDE4CPDE4DALOX5 | |
| SCHEMBL22891448 | 0.81 | CRHBP (0.47) | CRHBPCRHR2PDE4BPDE4APDE4C | |
| SCHEMBL22891656 | 0.79 | ESR2 (0.42) | CRHBPCRHR2ALOX5ESR2ESR1 | |
| SCHEMBL1760592 | 0.78 | ESR2 (0.53) | PDE4BPDE4APDE4CPDE4DALOX5 | |
| SCHEMBL1535884 | 0.77 | BACE1 (0.54) | PDE4BPDE4APDE4CPDE4DALOX5 | |
| SCHEMBL4384039 | 0.77 | PDE4B (0.47) | CRHBPCRHR2PDE4BPDE4APDE4C |
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-113549010-B | Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof | 中国科学院上海药物研究所 | 2023-10-20 | — | — | CN | disclosed |