Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | MBOAT4 | Q96T53 | 5/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.52 |
| ▸ | USP7 | Q93009 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23758922 | 1.00 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL18972906 | 0.89 | NOS2 (0.56) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL23552904 | 0.87 | NOS2 (0.53) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL19335648 | 0.87 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL22293727 | 0.87 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL22053193 | 0.87 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL20860795 | 0.87 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL23544232 | 0.87 | NOS2 (0.54) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL20925563 | 0.85 | NOS2 (0.55) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 | |
| SCHEMBL20806021 | 0.85 | NOS2 (0.52) | NOS2CYP3A4CYP2C19KEAP1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9670147-B2 | Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 | REATA PHARMACEUTICALS, INC. (US) | 2017-06-06 | — | — | US | disclosed |