Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348023 | 0.85 | CYP1A2 (0.32) | CYP2C9 | |
| SCHEMBL10348044 | 0.82 | EP300 (0.38) | ALDH1A1 | |
| SCHEMBL10347470 | 0.81 | HDAC8 (0.46) | CYP3A4 | |
| SCHEMBL10871499 | 0.78 | KDM4E (0.32) | ALDH1A1 | |
| SCHEMBL10347767 | 0.75 | SMN1; SMN2 (0.35) | ALDH1A1 | |
| SCHEMBL10347739 | 0.74 | CA2 (0.50) | ALDH1A1 | |
| SCHEMBL10347989 | 0.73 | CYP2D6 (0.33) | CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10347569 | 0.73 | MME (0.40) | — | |
| SCHEMBL27889236 | 0.73 | — | — | |
| SCHEMBL28058495 | 0.72 | ALDH1A1 (0.32) | ALDH1A1 |
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-0195201-B1 | PROCESS FOR THE PREPARATION OF N-ACYL-2,3-DEHYDRO CARBOXYLIC ESTERS | Degussa Aktiengesellschaft (DE) | 1990-05-23 | — | — | EP | disclosed |