Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230596 | 0.92 | PDK1 (0.49) | PDK1PDK2PDK3PDK4WDR5 | |
| SCHEMBL19230582 | 0.85 | PDK1 (0.46) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19284497 | 0.83 | ALDH1A1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19230510 | 0.79 | WDR5 (0.49) | WDR5ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL5516095 | 0.78 | ESR2 (0.50) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL19230796 | 0.77 | DRD2 (0.42) | PDK1PDK2PDK3PDK4WDR5 | |
| SCHEMBL19230502 | 0.77 | AKR1C3 (0.52) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL19230798 | 0.76 | PDK2 (0.38) | PDK1PDK2PDK3PDK4WDR5 | |
| SCHEMBL19230514 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL13181779 | 0.76 | ACACB (0.47) | PDK1PDK2PDK3PDK4ALDH1A1 |
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 |