Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Iguratimod. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF known ✓ | P14174 | 1/20 | 0.87 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.87 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.87 |
| ▸ | PDE4A | P27815 | 1/20 | 0.87 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.87 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Iguratimod SCHEMBL29366981 | 0.93 | PTGS1 (1.00) | PTGS1ADORA3MIFPDE4APDE4D | |
| Iguratimod SCHEMBL26326 | 0.93 | PTGS1 (1.00) | PTGS1ADORA3MIFPDE4APDE4D | |
| Iguratimod SCHEMBL5455197 | 0.92 | PTGS1 (0.98) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL30842776 | 0.91 | PTGS1 (0.70) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL10417305 | 0.86 | PTGS1 (0.85) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL7863101 | 0.84 | PTGS1 (0.81) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL10415850 | 0.83 | PTGS1 (0.80) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL10415468 | 0.82 | ADORA3 (0.78) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL10415410 | 0.81 | PTGS1 (0.77) | PTGS1ADORA3MIFPDE4APDE4D | |
| SCHEMBL10416534 | 0.81 | PTGS1 (0.77) | PTGS1ADORA3MIFPDE4APDE4D |
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-117700390-A | Preparation method of benzopyrene south methane sulfonamide derivative | 湖南方盛制药股份有限公司 | 2024-03-15 | — | — | CN | disclosed |