Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MBOAT4 | Q96T53 | 5/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | USP7 | Q93009 | 1/20 | 0.51 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18972921 | 0.92 | NOS2 (0.56) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL23553135 | 0.91 | NOS2 (0.53) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL20925684 | 0.88 | NOS2 (0.57) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL18972906 | 0.87 | NOS2 (0.56) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL22293727 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL23758922 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL20860795 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL23544232 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL22053193 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL18923293 | 0.85 | NOS2 (0.54) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2892912-B1 | C17-ALKANEDIYL AND ALKENEDIYL DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS INC (US) | 2019-04-24 | — | — | EP | disclosed |