Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 19/20 | 0.73 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.73 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL23284099 | 0.92 | GPBAR1 (0.62) | GPBAR1PRKCD | |
| SCHEMBL22251691 | 0.88 | NR1H4 (0.65) | GPBAR1PRKCDPTPN1 | |
| SCHEMBL22251708 | 0.88 | NR1H4 (0.65) | GPBAR1PRKCDPTPN1 | |
| SCHEMBL22251630 | 0.87 | NR1H4 (0.76) | GPBAR1PRKCD | |
| SCHEMBL26760893 | 0.87 | NR1H4 (0.76) | GPBAR1PRKCD | |
| SCHEMBL22251744 | 0.86 | NR1H4 (0.68) | GPBAR1PRKCD | |
| SCHEMBL22251747 | 0.86 | GPBAR1 (0.55) | GPBAR1PRKCDPTPN1 | |
| SCHEMBL17281331 | 0.85 | GPBAR1 (0.83) | GPBAR1PRKCD | |
| SCHEMBL30138168 | 0.85 | PTPN1 (0.58) | GPBAR1PRKCDPTPN1 | |
| Dihydrobetulinic Acid SCHEMBL23284046 | 0.84 | GPBAR1 (1.00) | GPBAR1PRKCDPTPN1 |
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 |