Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MBOAT4 | Q96T53 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 5/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 10/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21085388 | 0.87 | NOS2 (0.51) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL21022880 | 0.87 | MBOAT4 (0.53) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL20826041 | 0.87 | MBOAT4 (0.53) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL21085842 | 0.87 | MBOAT4 (0.53) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL21573987 | 0.87 | MBOAT4 (0.53) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL23098149 | 0.85 | NOS2 (0.41) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL21085846 | 0.85 | MBOAT4 (0.45) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL24035439 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL21085475 | 0.84 | MBOAT4 (0.55) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 | |
| SCHEMBL20826204 | 0.82 | NOS2 (0.39) | CYP3A4CYP2C9CYP2C19MBOAT4USP2 |
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 |