Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986825 | 1.00 | EPHX2 (0.35) | EPHX2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7975800 | 0.85 | CYP2D6 (0.36) | EPHX2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7986187 | 0.85 | CYP2D6 (0.36) | EPHX2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7992884 | 0.83 | EPHX2 (0.33) | EPHX2 | |
| SCHEMBL7975818 | 0.81 | CYP2D6 (0.35) | EPHX2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7993657 | 0.81 | CYP2D6 (0.35) | EPHX2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7993938 | 0.72 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7989631 | 0.71 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL7986080 | 0.71 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL7986818 | 0.69 | EPHX2 (0.32) | EPHX2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001040198-A2 | MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2001-06-07 | — | — | WO | disclosed |