Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.62 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.59 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.59 |
| ▸ | PPARD | Q03181 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25081992 | 1.00 | PLA2G4B (0.62) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL25081996 | 0.95 | PLA2G4B (0.58) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL30278808 | 0.95 | PLA2G4B (0.58) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL25081997 | 0.95 | PLA2G4B (0.58) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL25081995 | 0.95 | PLA2G4B (0.58) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL30278815 | 0.95 | PLA2G4B (0.68) | PLA2G4BCYP4F2CYP4A11PPARDFFAR1 | |
| SCHEMBL30278807 | 0.95 | PLA2G4B (0.64) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL25081989 | 0.95 | PLA2G4B (0.64) | PLA2G4BCYP4F2CYP4A11PPARDAKR1B1 | |
| SCHEMBL25081990 | 0.95 | PLA2G4B (0.68) | PLA2G4BCYP4F2CYP4A11PPARDFFAR1 | |
| SCHEMBL25081987 | 0.93 | PLA2G4B (0.71) | PLA2G4BCYP4F2CYP4A11PPARDNR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023022430-A1 | NOVEL MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2023-02-23 | — | — | WO | disclosed |