Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9727666 | 0.82 | GABRA1 (0.38) | GABRA1GABRB2PTPN1SRD5A1HSD17B1 | |
| SCHEMBL9727754 | 0.78 | GABRA1 (0.35) | GABRA1GABRB2PTPN1SRD5A1HSD17B1 | |
| SCHEMBL9727707 | 0.74 | PTPN1 (0.37) | PTPN1SRD5A1 | |
| SCHEMBL9727784 | 0.71 | SRD5A1 (0.35) | GABRA1GABRB2SRD5A1CYP3A4ALDH1A1 | |
| SCHEMBL1420694 | 0.65 | GABRA1 (0.64) | GABRA1GABRB2PTPN1SRD5A1CYP3A4 | |
| SCHEMBL1276635 | 0.65 | CYP3A4 (0.55) | GABRA1GABRB2PTPN1SRD5A1CYP3A4 | |
| SCHEMBL13387030 | 0.64 | HMGCR (0.56) | GABRA1GABRB2PTPN1CYP3A4ALOX15 | |
| SCHEMBL6309438 | 0.63 | GABRA1 (0.61) | GABRA1GABRB2PTPN1SRD5A1CYP3A4 | |
| SCHEMBL15269320 | 0.62 | CYP3A4 (0.57) | GABRA1GABRB2PTPN1CYP3A4ALOX15 | |
| SCHEMBL9727708 | 0.62 | ALDH1A1 (0.42) | GABRA1GABRB2PTPN1CYP3A4ALOX15 |
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 |