Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 4/20 | 0.52 |
| ▸ | NOS2 | P35228 | 8/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.49 |
| ▸ | USP7 | Q93009 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18973011 | 0.96 | MBOAT4 (0.55) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL20171797 | 0.90 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL22875555 | 0.90 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL22875752 | 0.90 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL22875750 | 0.90 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL20171798 | 0.90 | NOS2 (0.54) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL20750860 | 0.89 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL22875749 | 0.89 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL20171815 | 0.89 | MBOAT4 (0.52) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 | |
| SCHEMBL24512003 | 0.89 | MBOAT4 (0.51) | MBOAT4NOS2NFE2L2CYP3A4CYP2C19 |
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-3444261-B1 | 2,2-DIFLUOROPROPIONAMIDE DERIVATIVE OF BARDOXOLONE METHYL, PHARMACEUTICAL COMPOSITIONS AND POLYMORPHS THEREOF FOR USE IN TREATING CERTAIN CONDITIONS | REATA PHARMACEUTICALS INC (US) | 2021-01-13 | — | — | EP | disclosed |