Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 5/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | AHCY | P23526 | 1/20 | 0.42 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28686054 | 0.87 | WDR5 (0.42) | ALDH1A1 | |
| SCHEMBL5575926 | 0.84 | STS (0.57) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4608693 | 0.83 | STS (0.53) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL28699700 | 0.82 | MAPT (0.41) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5576153 | 0.81 | STS (0.49) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL5576735 | 0.80 | STS (0.51) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4608779 | 0.80 | STS (0.49) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4610832 | 0.79 | STS (0.49) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4597915 | 0.79 | STS (0.52) | STSALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL5573773 | 0.78 | ALDH1A1 (0.49) | STSALDH1A1NPC1MAPTMAPK1 |
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-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |