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 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230583 | 0.92 | PDK1 (0.49) | PDK1PDK2PDK3PDK4WDR5 | |
| SCHEMBL19230510 | 0.86 | WDR5 (0.49) | WDR5NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL19230514 | 0.84 | PDK1 (0.46) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL19230594 | 0.82 | PDK1 (0.44) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL19284492 | 0.80 | CA12 (0.53) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL19230582 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL19284497 | 0.76 | ALDH1A1 (0.49) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL12922780 | 0.75 | NAMPT (0.49) | NPC1RAB9AKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL19230513 | 0.75 | KDM4E (0.48) | KDM4EALDH1A1CA1CA2CA7 | |
| SCHEMBL29715895 | 0.73 | NAMPT (0.50) | KDM4ESMN1; SMN2ALDH1A1CA12CA1 |
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 4 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-2017147047-A1 | FXR MODULATORS AND METHODS OF THEIR USE | ALIOS BIOPHARMA, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| WO-2017147047-A1 | FXR MODULATORS AND METHODS OF THEIR USE | ALIOS BIOPHARMA, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| WO-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |