Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11159530 | 0.82 | HRH1 (0.45) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL27446953 | 0.82 | SLC7A5 (0.51) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL27732246 | 0.75 | SLC7A5 (0.35) | BRS3MMP2SLC7A5ALDH1A1 | |
| SCHEMBL10921824 | 0.73 | ALDH1A1 (0.33) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL3846866 | 0.72 | CYP3A4 (0.67) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL1581156 | 0.72 | CYP3A4 (0.67) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL262239 | 0.72 | CYP3A4 (0.67) | CYP3A4SLC7A5ALDH1A1 | |
| SCHEMBL27673762 | 0.71 | MMP2 (0.41) | MMP2 | |
| Hydrochloric Acid SCHEMBL27541751 | 0.71 | CYP3A4 (0.65) | CYP3A4SLC7A5ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7321531 | 0.71 | CYP3A4 (0.65) | CYP3A4SLC7A5ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4564635-A | Allylsulfoxide enzyme inhibitors | MERCK & CO., INC. (US) | 1986-01-14 | — | — | US | disclosed |
| US-4491590-A | Allylsulfoxide enzyme inhibitors | MERCK & CO., INC. (US) | 1985-01-01 | — | — | US | disclosed |
| EP-0024639-B1 | ORGANIC SULFOXIDES HAVING A LATENT ALLYL GROUP, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL ENZYME INHIBITING COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1984-06-06 | — | — | EP | disclosed |
| US-4400395-A | ANTI-ARTHRITIC,-CARCINOGENIC,-SEROTONIN,-HISTAMINE AGENTS; HYPOTENSIVES | MERCK & CO., INC. (US) | 1983-08-23 | — | — | US | disclosed |