Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.57 |
| ▸ | HSD17B1 | P14061 | 10/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.49 |
| ▸ | ESR1 | P03372 | 5/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918997 | 0.84 | ESR1 (0.56) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL170247 | 0.82 | ALOX5 (0.62) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL29349888 | 0.82 | ALOX5 (0.62) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL3867431 | 0.82 | ESR1 (0.48) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL2379728 | 0.82 | ESR1 (0.52) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL36279 | 0.82 | ESR1 (0.52) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL29350362 | 0.82 | ESR1 (0.52) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL25060829 | 0.81 | ALOX5 (0.59) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL31457378 | 0.81 | ALOX5 (0.50) | ALOX5HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL14417404 | 0.80 | HSD17B1 (0.72) | ALOX5HSD17B1HSD17B2ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012126566-A1 | ORGANIC IONIC FUNCTIONAL MATERIALS | MERCK PATENT GMBH (DE) | 2012-09-27 | — | — | WO | disclosed |