Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27207683 | 0.87 | RAB9A (0.37) | S1PR1S1PR3POLBALDH1A1LMNA | |
| SCHEMBL28869649 | 0.82 | S1PR1 (0.53) | S1PR1S1PR3DPP4ALDH1A1NPC1 | |
| SCHEMBL1543797 | 0.82 | S1PR1 (0.45) | S1PR1S1PR3ALDH1A1NPC1HTT | |
| SCHEMBL29077276 | 0.81 | MAPT (0.46) | S1PR1S1PR3DPP4ALDH1A1LMNA | |
| SCHEMBL1544568 | 0.80 | SMN1; SMN2 (0.43) | ALDH1A1LMNAMAPTMAPK1NPC1 | |
| SCHEMBL29077258 | 0.80 | RAB9A (0.43) | S1PR1S1PR3ALDH1A1LMNAMAPT | |
| SCHEMBL29077256 | 0.78 | NPC1 (0.50) | ALDH1A1LMNAMAPTMAPK1NPC1 | |
| SCHEMBL28869604 | 0.77 | S1PR1 (0.52) | S1PR1S1PR3POLBLMNAMAPK1 | |
| SCHEMBL28869657 | 0.74 | CNR2 (0.43) | CNR1CNR2 | |
| SCHEMBL28278760 | 0.74 | NPC1 (0.49) | ALDH1A1LMNAMAPTMAPK1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093377-A | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | claimed |
| CN-115093377-B | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115093377-A | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |