Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL28653849 | 0.86 | S1PR1 (0.63) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28659795 | 0.86 | S1PR1 (0.50) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28661992 | 0.84 | CHRNB2 (0.52) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28665259 | 0.84 | ADORA3 (0.54) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28654921 | 0.82 | NPC1 (0.56) | S1PR1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL28664805 | 0.80 | ADORA3 (0.52) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28656185 | 0.78 | GRM5 (0.45) | S1PR1TP53ALDH1A1NFKB1NFKB2 | |
| SCHEMBL31657612 | 0.77 | CHRNB2 (0.67) | S1PR1ADORA3TP53ALDH1A1NFKB1 | |
| SCHEMBL28671503 | 0.77 | MAPT (0.45) | S1PR1ADORA3ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30688274 | 0.77 | MAPT (0.45) | S1PR1ADORA3ALDH1A1SMN1; SMN2NPC1 |
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-113603684-B | 1,2, 4-oxadiazole Nrf2 activator-tac Lin Pinge product and preparation method and application thereof | 中国药科大学 | 2023-12-19 | — | — | CN | disclosed |
| CN-113603684-A | 1,2, 4-oxadiazole Nrf2 activator-tacrine split product and preparation method and application thereof | 中国药科大学 | 2021-11-05 | — | — | CN | disclosed |