Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.45 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29195616 | 1.00 | SMN1; SMN2 (0.45) | SMN1; SMN2MAPK1ASAH1EGLN3LMNA | |
| SCHEMBL4437431 | 0.77 | ASAH1 (0.62) | SMN1; SMN2MAPK1ASAH1EGLN3LMNA | |
| SCHEMBL7987205 | 0.73 | SMN1; SMN2 (0.48) | SMN1; SMN2ASAH1EGLN3NPC1HSD17B10 | |
| SCHEMBL273486 | 0.69 | TDP1 (0.52) | SMN1; SMN2MAPK1LMNAHTTHSD17B10 | |
| SCHEMBL8013907 | 0.69 | TDP1 (0.52) | SMN1; SMN2MAPK1EGLN3LMNAHTT | |
| SCHEMBL20603923 | 0.68 | HTT (0.63) | SMN1; SMN2LMNAHTTAURKAKDR | |
| SCHEMBL6738639 | 0.68 | POLB (0.46) | SMN1; SMN2ASAH1EGLN3HTTAPAF1 | |
| SCHEMBL1879818 | 0.67 | HTT (0.48) | SMN1; SMN2ASAH1EGLN3LMNAHTT | |
| SCHEMBL29195624 | 0.67 | ASAH1 (0.53) | SMN1; SMN2ASAH1LMNAHTTAURKA | |
| SCHEMBL30846013 | 0.67 | ASAH1 (0.53) | SMN1; SMN2ASAH1LMNAHTTAURKA |
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-117917274-A | Preparation method of novel metal@PCN catalyst and method for preparing 1,2, 4-thiadiazole derivative by using catalyst | 济宁医学院 | 2024-04-23 | — | — | CN | disclosed |