Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.40 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL16000697 | 0.97 | ESR1 (0.43) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL18230901 | 0.94 | ESR1 (0.45) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL18230891 | 0.93 | ESR1 (0.41) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL16000698 | 0.89 | PDPK1 (0.40) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL19072442 | 0.88 | ESR1 (0.40) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL16000713 | 0.86 | HDAC6 (0.41) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL19072432 | 0.86 | SMN1; SMN2 (0.37) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL3745017 | 0.86 | ESR1 (0.54) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL19072558 | 0.86 | ESR1 (0.38) | ESR1ESR2CHEK2GRIA1CACNG8 | |
| SCHEMBL23784952 | 0.85 | ESR1 (0.53) | ESR1ESR2GRIA1CACNG8CACNG2 |
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-9496502-B2 | Organic ionic compounds, compositions and electronic devices | MERCK PATENT GMBH (DE) | 2016-11-15 | — | — | US | disclosed |
| US-20140249606-A1 | ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES | MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) | 2014-09-04 | — | — | US | disclosed |