Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.40 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL18230891 | 0.97 | ESR1 (0.41) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL16000720 | 0.94 | ESR1 (0.40) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL19072442 | 0.91 | ESR1 (0.40) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL16000713 | 0.90 | HDAC6 (0.41) | ESR1ESR2NPC1RAB9ACHEK2 | |
| SCHEMBL19072445 | 0.90 | ESR1 (0.37) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL19072558 | 0.89 | ESR1 (0.38) | ESR1ESR2NPC1RAB9AGAA | |
| SCHEMBL16000742 | 0.88 | HDAC6 (0.41) | ESR1ESR2NPC1RAB9ACHEK2 | |
| SCHEMBL12571637 | 0.87 | ESR1 (0.53) | ESR1ESR2RAB9AGRIA1CACNG8 | |
| SCHEMBL25668125 | 0.87 | ESR1 (0.53) | ESR1ESR2RAB9AGRIA1CACNG8 |
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-9496502-B2 | Organic ionic compounds, compositions and electronic devices | MERCK PATENT GMBH (DE) | 2016-11-15 | — | — | US | disclosed |