Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230894 | 0.85 | PDK1 (0.41) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19230596 | 0.82 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19284492 | 0.77 | CA12 (0.53) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19230583 | 0.74 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL19954049 | 0.72 | NAMPT (0.52) | ALDH1A1HPGDTP53ALOX15ALOX12 | |
| SCHEMBL19230510 | 0.71 | WDR5 (0.49) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL19284497 | 0.71 | ALDH1A1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL29715895 | 0.71 | NAMPT (0.50) | ALDH1A1HPGDTP53ALOX15ALOX12 | |
| SCHEMBL3308449 | 0.71 | NAMPT (0.50) | ALDH1A1HPGDTP53ALOX15ALOX12 | |
| SCHEMBL20178659 | 0.70 | NAMPT (0.56) | ALDH1A1ALOX12HSD17B10NAMPTKDM4E |
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-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |