Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.30 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL91732 | 0.88 | ESR1 (0.35) | ESR1ESR2ERN1TNKS2PTGES | |
| SCHEMBL14075287 | 0.83 | TNKS2 (0.41) | ESR1ESR2ERN1TNKS2HSD17B1 | |
| SCHEMBL91715 | 0.82 | SLC6A2 (0.32) | ESR1ESR2ERN1 | |
| SCHEMBL91706 | 0.82 | ERN1 (0.32) | ESR1ESR2ERN1 | |
| SCHEMBL91714 | 0.80 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL91766 | 0.80 | — | — | |
| SCHEMBL91823 | 0.79 | ESR1 (0.35) | ESR1ESR2ERN1TNKS2HSD17B1 | |
| SCHEMBL91745 | 0.79 | KMT2A (0.37) | ESR1CYP1A2 | |
| SCHEMBL19703044 | 0.79 | HSD17B1 (0.38) | ESR1ESR2ERN1TNKS2HSD17B1 | |
| SCHEMBL14075290 | 0.78 | ESR1 (0.38) | ESR1ESR2TNKS2 |
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 |