Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL91695 | 0.87 | ERN1 (0.47) | ESR1ESR2ERN1ABL1 | |
| SCHEMBL13087003 | 0.82 | RAPGEF4 (0.38) | RAPGEF4 | |
| SCHEMBL14075261 | 0.79 | ESR1 (0.47) | ESR1ESR2ERN1HSD17B1HSD17B2 | |
| SCHEMBL13087002 | 0.79 | NISCH (0.43) | ERN1RAPGEF4 | |
| SCHEMBL91706 | 0.78 | ERN1 (0.32) | ESR1ESR2ERN1 | |
| SCHEMBL91730 | 0.78 | ESR1 (0.32) | ESR1ESR2ABL1 | |
| SCHEMBL91711 | 0.78 | HSD17B1 (0.36) | ESR1ESR2ERN1HSD17B1HSD17B2 | |
| SCHEMBL91714 | 0.76 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL91726 | 0.76 | KMT2A (0.36) | ESR1ESR2 | |
| SCHEMBL21021433 | 0.75 | PTGS2 (0.45) | RAPGEF4 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |