Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230582 | 0.91 | PDK1 (0.46) | PDK1PDK2PDK3PDK4AKR1C3 | |
| SCHEMBL19230596 | 0.84 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ESR2 | |
| SCHEMBL19230513 | 0.82 | KDM4E (0.48) | AKR1C3ALDH1A1KDM4EHSD17B10CA1 | |
| SCHEMBL19230894 | 0.80 | PDK1 (0.41) | PDK1PDK2PDK3PDK4AKR1C3 | |
| SCHEMBL19230583 | 0.76 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ESR2 | |
| SCHEMBL5516095 | 0.76 | ESR2 (0.50) | ESR2ESR1ALDH1A1CA9 | |
| SCHEMBL19230502 | 0.74 | AKR1C3 (0.52) | AKR1C3ALDH1A1KDM4EHSD17B10POLB | |
| SCHEMBL1398597 | 0.72 | KDM4E (0.66) | ALDH1A1KDM4EGAATDP1HSD17B10 | |
| SCHEMBL29784244 | 0.72 | KDM4E (0.66) | ALDH1A1KDM4EGAATDP1HSD17B10 | |
| SCHEMBL8806160 | 0.71 | GAA (0.69) | ALDH1A1KDM4EGAATDP1HSD17B10 |
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-108602811-B | FXR receptor agonists | 轩竹生物科技有限公司 | 2021-11-16 | — | — | CN | disclosed |
| WO-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |