Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.66 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | MBOAT4 | Q96T53 | 4/20 | 0.65 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.65 |
| ▸ | USP7 | Q93009 | 2/20 | 0.65 |
| ▸ | USP2 | O75604 | 1/20 | 0.65 |
| ▸ | STAT3 | P40763 | 1/20 | 0.65 |
| ▸ | CCR6 | P51684 | 1/20 | 0.59 |
| ▸ | RORC | P51449 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL701853 | 1.00 | NOS2 (0.66) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL14931407 | 1.00 | NOS2 (0.66) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL701852 | 1.00 | NOS2 (0.66) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL10212083 | 1.00 | NOS2 (0.66) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL1033491 | 1.00 | NOS2 (0.66) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL13666196 | 0.93 | NOS2 (0.64) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL703508 | 0.93 | NOS2 (0.68) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL703507 | 0.93 | NOS2 (0.68) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL10211257 | 0.93 | NOS2 (0.68) | NOS2KEAP1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL703213 | 0.92 | NOS2 (0.67) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276493-A1 | ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 | Reata Pharmaceuticals, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009129546-A1 | ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 | REATA PHARMACEUTICALS, INC. (US) | 2009-10-22 | — | — | WO | disclosed |