Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21333868 | 0.85 | HDAC4 (0.40) | OPRD1CYP1A2OPRM1OPRK1 | |
| SCHEMBL21333901 | 0.84 | HSD11B1 (0.39) | ALDH1A1 | |
| SCHEMBL21331794 | 0.84 | CHRNA1 (0.36) | ALDH1A1 | |
| SCHEMBL21331901 | 0.84 | HSD11B1 (0.39) | ALDH1A1OPRM1 | |
| SCHEMBL3836530 | 0.83 | HDAC4 (0.39) | OPRD1OPRM1 | |
| SCHEMBL21333959 | 0.77 | SLC6A4 (0.41) | OPRM1 | |
| SCHEMBL21331854 | 0.75 | HSD11B1 (0.35) | ALDH1A1OPRM1 | |
| SCHEMBL21333872 | 0.74 | HSD11B1 (0.36) | CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL11232831 | 0.74 | ALDH1A1 (0.33) | ALDH1A1CYP1A2 | |
| SCHEMBL11848955 | 0.74 | EPHX1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483487-B | 2-thiomethylpyrazole pyrimidone compound, preparation method thereof, pharmaceutical composition and application | 云南大学 | 2022-07-12 | — | — | CN | disclosed |
| WO-2019170050-A1 | 2-THIOMETHYLPYRAZOLOPYRIMIDINONE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 云南大学 | 2019-09-12 | — | — | WO | disclosed |