Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 5/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 5/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.36 |
| ▸ | CHRNG | P07510 | 4/20 | 0.36 |
| ▸ | CHRND | Q07001 | 4/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21333892 | 0.84 | OPRD1 (0.37) | ALDH1A1 | |
| SCHEMBL21333868 | 0.84 | HDAC4 (0.40) | HSD11B1CCR2SLC6A3SLC6A2CHRNA1 | |
| SCHEMBL21331794 | 0.83 | CHRNA1 (0.36) | HSD11B1SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL21331901 | 0.83 | HSD11B1 (0.39) | HSD11B1CCR2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL3836530 | 0.82 | HDAC4 (0.39) | HSD11B1MEN1KMT2A | |
| SCHEMBL21333959 | 0.81 | SLC6A4 (0.41) | CCR2SLC6A3SLC6A2SLC6A4CHRNA1 | |
| SCHEMBL9257572 | 0.77 | HSD11B1 (0.47) | HSD11B1CCR2SLC6A3SLC6A4HCAR3 | |
| SCHEMBL21333898 | 0.76 | SMN1; SMN2 (0.38) | MAPTMEN1LMNAKMT2AALDH1A1 | |
| Acetonitrile SCHEMBL28747283 | 0.75 | CYP11B1 (0.34) | MAPTMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL21331854 | 0.74 | HSD11B1 (0.35) | HSD11B1CCR2SLC6A3SLC6A2CHRNA1 |
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 |