Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL91718 | 0.79 | ESR1 (0.37) | ESR1ESR2TNKS2ERN1HSD17B1 | |
| SCHEMBL6382158 | 0.74 | ALDH1A1 (0.40) | PSMB5 | |
| SCHEMBL15496490 | 0.73 | KIF11 (0.36) | — | |
| SCHEMBL21507505 | 0.73 | KIF11 (0.36) | — | |
| SCHEMBL91758 | 0.71 | — | — | |
| SCHEMBL30507312 | 0.70 | ACHE (0.48) | TNKS2 | |
| SCHEMBL91715 | 0.69 | SLC6A2 (0.32) | ESR1ESR2ERN1 | |
| SCHEMBL91732 | 0.68 | ESR1 (0.35) | ESR1ESR2TNKS2ERN1 | |
| SCHEMBL1044722 | 0.68 | MEN1 (0.47) | — | |
| SCHEMBL17180546 | 0.67 | PSMB5 (0.47) | ESR1ESR2TNKS2PSMB5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |