Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 3/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.44 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31618950 | 0.93 | PTGS1 (0.55) | AHRABCG2PTGS1PTGS2CYP2C9 | |
| SCHEMBL31618948 | 0.90 | AHR (0.51) | AHRABCG2PTGS1PTGS2CYP1A2 | |
| SCHEMBL11827899 | 0.86 | AHR (0.57) | AHRABCG2PTGS1PTGS2CYP1A2 | |
| SCHEMBL11827906 | 0.86 | AHR (0.57) | AHRABCG2PTGS1PTGS2CYP1A2 | |
| SCHEMBL13464287 | 0.83 | NR5A1 (0.54) | AHRABCG2LTA4HNR5A1CHRNA7 | |
| SCHEMBL11828011 | 0.82 | NR5A1 (0.57) | AHRABCG2LTA4HNR5A1CHRNA7 | |
| SCHEMBL11828325 | 0.82 | NR5A1 (0.57) | AHRABCG2LTA4HNR5A1CHRNA7 | |
| SCHEMBL11828330 | 0.82 | NR5A1 (0.57) | AHRABCG2LTA4HNR5A1CHRNA7 | |
| SCHEMBL11828016 | 0.82 | NR5A1 (0.57) | AHRABCG2LTA4HNR5A1CHRNA7 | |
| SCHEMBL7293113 | 0.82 | AHR (0.53) | AHRABCG2PTGS1PTGS2CYP1A2 |
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-117486836-A | Preparation method of 2-aryl-3-carbonyl substituted tetrahydrofuran and tetrahydropyran compound | 遵义医科大学 | 2024-02-02 | — | — | CN | disclosed |