Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29134059 | 0.94 | MRGPRX4 (0.40) | MRGPRX4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5654886 | 0.77 | RAB9A (0.60) | PRMT5RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL30822036 | 0.77 | RAB9A (0.60) | PRMT5RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL1359254 | 0.76 | MAOB (0.50) | HTR1ALRRK2ALOX5 | |
| SCHEMBL12838111 | 0.74 | PTPN1 (0.50) | MRGPRX4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12370684 | 0.73 | KMT2A (0.49) | SLC6A4RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL11247180 | 0.71 | PDE4A (0.51) | MRGPRX4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15669058 | 0.70 | MRGPRX4 (0.74) | MRGPRX4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29858650 | 0.70 | POLB (0.56) | MRGPRX4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11140243 | 0.70 | ALOX5 (0.51) | MRGPRX4SLC6A4RAB9ANPC1ALOX5 |
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-116988078-A | Metal catalyzed asymmetric coupling method promoted by electrochemical reduction | 中国科学院上海有机化学研究所 | 2023-11-03 | — | — | CN | disclosed |