Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 7/20 | 0.56 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.49 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5570402 | 0.98 | HSD17B3 (0.58) | HSD17B3PLA2G2APLA2G5FFAR1CA2 | |
| SCHEMBL5570090 | 0.85 | HSD17B3 (0.52) | HSD17B3HTR7 | |
| SCHEMBL19757454 | 0.85 | HSD17B3 (0.61) | HSD17B3HTR7THRATHRB | |
| SCHEMBL5084687 | 0.84 | HDAC3 (0.55) | — | |
| SCHEMBL17694477 | 0.84 | HSD17B3 (0.47) | HSD17B3PLA2G2APLA2G5FFAR1THRA | |
| SCHEMBL3355161 | 0.83 | TPMT (0.55) | HSD17B3PLA2G2ACA2HTR7 | |
| SCHEMBL30089552 | 0.83 | TPMT (0.56) | THRB | |
| SCHEMBL5081111 | 0.82 | HDAC11 (0.58) | FFAR1 | |
| SCHEMBL13812156 | 0.82 | TPMT (0.46) | HSD17B3HTR7 | |
| SCHEMBL11043615 | 0.81 | L3MBTL1 (0.42) | HSD17B3PLA2G2APLA2G5FFAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444458-A | Method for realizing migration of remote aromatic heterocycle and direct alkyl heteroaryl of terminal olefin | 南京工业大学 | 2023-07-18 | — | — | CN | disclosed |
| EP-1745004-B1 | ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2016-05-18 | — | — | EP | disclosed |
| EP-1745004-A4 | ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2007-05-09 | — | — | EP | disclosed |
| EP-1745004-A2 | ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | Emisphere Technologies, Inc. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005117854-A2 | ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2005-12-15 | — | — | WO | disclosed |