Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807869 | 0.84 | ESR1 (0.49) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL845603 | 0.82 | APP (0.63) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL29732980 | 0.82 | APP (0.63) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL145377 | 0.79 | APP (0.62) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL731117 | 0.79 | APP (0.53) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL2149612 | 0.78 | APP (0.59) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL21295850 | 0.77 | KDM4E (0.49) | CYP19A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2150464 | 0.76 | APP (0.57) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL5148513 | 0.76 | APP (0.57) | APPHSD17B1HSD17B2CA2CA1 | |
| SCHEMBL27651550 | 0.76 | APP (0.57) | APPHSD17B1HSD17B2CA2CA1 |
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 3 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 | claimed |
| 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 |