Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | MBOAT4 | Q96T53 | 5/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20925737 | 0.89 | MBOAT4 (0.44) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925960 | 0.87 | MBOAT4 (0.36) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925889 | 0.87 | NOS2 (0.37) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20926037 | 0.87 | NOS2 (0.37) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925901 | 0.87 | NOS2 (0.39) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925744 | 0.85 | MBOAT4 (0.38) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925948 | 0.85 | NOS2 (0.50) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925742 | 0.85 | NOS2 (0.39) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL23098192 | 0.84 | MBOAT4 (0.46) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 | |
| SCHEMBL20925918 | 0.84 | NOS2 (0.37) | NOS2CYP3A4CYP2C9CYP2C19KEAP1 |
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-2683731-B1 | C4-MONOMETHYL TRITERPENOID DERIVATIVES AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS INC (US) | 2019-04-24 | — | — | EP | disclosed |