Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | ESR1 | P03372 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30536636 | 0.85 | LMNA (0.41) | ESR2ESR1 | |
| SCHEMBL22596452 | 0.84 | ERN1 (0.50) | KIF11ESR2ESR1ERN1CYP17A1 | |
| SCHEMBL21162496 | 0.80 | ERN1 (0.59) | MEN1KMT2AERN1 | |
| SCHEMBL18310399 | 0.78 | FFAR1 (0.50) | CYP17A1 | |
| SCHEMBL17279129 | 0.78 | ERN1 (0.56) | KIF11ESR2MEN1KMT2AERN1 | |
| SCHEMBL24018551 | 0.78 | NR5A1 (0.53) | — | |
| SCHEMBL8454371 | 0.78 | NR5A1 (0.53) | — | |
| SCHEMBL18310405 | 0.77 | CYP17A1 (0.44) | ALOX5CYP17A1 | |
| SCHEMBL13198678 | 0.77 | CYP17A1 (0.44) | ALOX5CYP17A1 | |
| SCHEMBL9149072 | 0.77 | CYP17A1 (0.41) | KIF11ESR2ERN1CYP17A1 |
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-9914876-B2 | Bimesogenic compounds and mesogenic media | MERCK PATENT GMBH (DE) | 2018-03-13 | — | — | US | disclosed |