Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | LPL | P06858 | 1/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL31039575 | 0.82 | ESR1 (0.76) | ESR1ESR2ALOX5SRCCA1 | |
| SCHEMBL18260181 | 0.82 | ESR1 (0.76) | ESR1ESR2ALOX5SRCCA1 | |
| SCHEMBL19562135 | 0.79 | ESR1 (0.61) | ESR1ESR2ALOX5SRCCA1 | |
| SCHEMBL239121 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL30239993 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL5013872 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL30603836 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL15902840 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL30239998 | 0.79 | ESR1 (0.71) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL14653450 | 0.78 | MEN1 (0.44) | ESR1ALOX5HSD17B1HSD17B2BACE1 |
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-2013009013-A2 | NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME | 주식회사 엘지화학 (KR) | 2013-01-17 | — | — | WO | disclosed |