Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL9727746 | 0.71 | GABRA1 (0.36) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL323547 | 0.65 | XDH (0.54) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL10010839 | 0.64 | SRD5A1 (0.46) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL8664268 | 0.64 | MAOA (0.41) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL6013229 | 0.64 | GABRA1 (0.52) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL3803903 | 0.64 | SRD5A1 (0.46) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| Hydrogen Sulfide SCHEMBL6721312 | 0.63 | XDH (0.52) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL16863704 | 0.62 | ALDH1A1 (0.57) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL69556 | 0.62 | GABRA1 (0.48) | SRD5A1ALDH1A1CYP3A4ALOX5AR | |
| SCHEMBL2494238 | 0.62 | SRD5A1 (0.44) | SRD5A1ALDH1A1CYP3A4ALOX5AR |
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 |
|---|---|---|---|---|---|---|---|
| US-5091533-A | Treating allergies, cardiovascular disorders, inflammation | MERCK FROSST CANADA, INC. (CA) | 1992-02-25 | — | — | US | disclosed |
| EP-0447189-A1 | 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA INC. (CA) | 1991-09-18 | — | — | EP | disclosed |