Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.49 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | BMP1 | P13497 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29176878 | 0.90 | KCNH2 (0.42) | AAK1KCNT1S1PR3HTTBMP1 | |
| SCHEMBL29176877 | 0.87 | L3MBTL1 (0.56) | HTTTP53KCNH2MAPTMAPK1 | |
| SCHEMBL29176874 | 0.85 | KCNH2 (0.48) | HTTNPSR1TP53KCNH2MAPT | |
| SCHEMBL29176870 | 0.85 | NPC1 (0.47) | S1PR3HTTNPSR1TP53S1PR1 | |
| SCHEMBL29176879 | 0.84 | KCNH2 (0.42) | AAK1HTTBMP1NPSR1TP53 | |
| SCHEMBL30817786 | 0.84 | S1PR3 (0.46) | NPY2RS1PR3HTTNPSR1S1PR1 | |
| SCHEMBL29176876 | 0.84 | S1PR3 (0.46) | NPY2RS1PR3HTTNPSR1S1PR1 | |
| SCHEMBL30817792 | 0.83 | S1PR3 (0.43) | AAK1KCNT1NPY2RS1PR3HTT | |
| SCHEMBL29176836 | 0.83 | S1PR3 (0.43) | AAK1KCNT1NPY2RS1PR3HTT | |
| SCHEMBL29176835 | 0.82 | HDAC4 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117720535-A | Pyrido [1,2-a ] pyrimidine mesoionic derivative containing 1,2, 4-oxadiazole structure, and preparation and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |