Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.58 |
| ▸ | ESR1 | P03372 | 8/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL373697 | 0.83 | ESR2 (0.83) | ESR2ESR1HDAC6ABHD6CA1 | |
| SCHEMBL7847603 | 0.82 | ESR1 (0.60) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL373718 | 0.81 | ESR1 (0.58) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL1787936 | 0.81 | ABHD6 (0.60) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL566629 | 0.81 | ESR1 (0.58) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL27176737 | 0.81 | ESR1 (0.58) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL2585109 | 0.81 | ESR1 (0.62) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL15435372 | 0.81 | ESR1 (0.54) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL7423258 | 0.80 | ESR1 (0.57) | ESR2ESR1HDAC6PKMABHD6 | |
| SCHEMBL506139 | 0.80 | ESR1 (0.59) | ESR2ESR1ABHD6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |