Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 6/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29176836 | 1.00 | S1PR3 (0.43) | S1PR3S1PR1HTTAAK1S1PR2 | |
| SCHEMBL30817786 | 0.88 | S1PR3 (0.46) | S1PR3S1PR1HTTNPY2RTDP1 | |
| SCHEMBL29176876 | 0.88 | S1PR3 (0.46) | S1PR3S1PR1HTTNPY2RTDP1 | |
| SCHEMBL30817756 | 0.88 | S1PR3 (0.43) | S1PR3S1PR1HTTS1PR2S1PR4 | |
| SCHEMBL29176866 | 0.88 | S1PR3 (0.43) | S1PR3S1PR1HTTS1PR2S1PR4 | |
| SCHEMBL30817775 | 0.84 | L3MBTL1 (0.60) | S1PR3HTTL3MBTL1NPSR1 | |
| SCHEMBL29176852 | 0.84 | L3MBTL1 (0.60) | S1PR3HTTL3MBTL1NPSR1 | |
| SCHEMBL29176830 | 0.83 | AAK1 (0.49) | S1PR3S1PR1HTTAAK1NPY2R | |
| SCHEMBL30817777 | 0.82 | HPGDS (0.41) | S1PR3S1PR1HTTL3MBTL1NPSR1 | |
| SCHEMBL29176853 | 0.82 | HPGDS (0.41) | S1PR3S1PR1HTTL3MBTL1NPSR1 |
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-117720535-B | Pyrido [1, 2-a ] pyrimidine mesoionic derivative containing 1,2, 4-oxadiazole structure, and preparation and application thereof | 贵州大学 | 2025-05-13 | — | — | CN | disclosed |
| 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 |