Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 19/20 | 0.62 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL23284050 | 0.92 | GPBAR1 (0.73) | GPBAR1PRKCD | |
| SCHEMBL23284187 | 0.86 | GPBAR1 (0.56) | GPBAR1PRKCD | |
| SCHEMBL30138168 | 0.83 | PTPN1 (0.58) | GPBAR1PRKCD | |
| SCHEMBL22251691 | 0.82 | NR1H4 (0.65) | GPBAR1PRKCD | |
| SCHEMBL22251708 | 0.82 | NR1H4 (0.65) | GPBAR1PRKCD | |
| SCHEMBL23284092 | 0.81 | GPBAR1 (0.73) | GPBAR1 | |
| SCHEMBL23284091 | 0.81 | GPBAR1 (0.73) | GPBAR1 | |
| SCHEMBL30138183 | 0.80 | GPBAR1 (0.73) | GPBAR1PRKCD | |
| SCHEMBL4363308 | 0.80 | GPBAR1 (0.73) | GPBAR1PRKCD | |
| SCHEMBL22251630 | 0.80 | NR1H4 (0.76) | GPBAR1PRKCD |
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-2021078150-A1 | PENTACYCLIC TRITERPENE TGR5 RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USES THEREOF | 中国科学院上海药物研究所 | 2021-04-29 | — | — | WO | disclosed |