Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2231894 | 0.90 | ESR1 (0.43) | ESR1BACE1AKR1B10AKR1B1 | |
| SCHEMBL24845207 | 0.89 | ESR1 (0.41) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL24844751 | 0.89 | L3MBTL1 (0.43) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL13582079 | 0.87 | ESR1 (0.44) | ESR1BACE1CYP3A4USP14 | |
| SCHEMBL13582083 | 0.87 | ESR1 (0.44) | ESR1BACE1CYP3A4USP14 | |
| SCHEMBL13581970 | 0.79 | USP14 (0.35) | BACE1USP14 | |
| SCHEMBL13581966 | 0.79 | USP14 (0.35) | BACE1USP14 | |
| SCHEMBL21507145 | 0.79 | BACE1 (0.64) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL21492947 | 0.79 | USP14 (0.37) | BACE1USP14 | |
| SCHEMBL5861799 | 0.79 | ESR1 (0.56) | ESR1CA12CA1CA2CA7 |
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-2023274257-A1 | IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF | 诸葛国琴 | 2023-01-05 | — | — | WO | disclosed |