Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 3/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | CTSA | P10619 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21162496 | 0.89 | ERN1 (0.59) | ERN1MGLLMCL1CTSAS1PR5 | |
| SCHEMBL26087702 | 0.85 | MCL1 (0.66) | MGLLMCL1HSD17B1HSD17B2ESR1 | |
| SCHEMBL31053884 | 0.85 | MCL1 (0.66) | MGLLMCL1HSD17B1HSD17B2ESR1 | |
| SCHEMBL3913833 | 0.85 | ERN1 (0.46) | ERN1MGLLMCL1CTSA | |
| SCHEMBL8617145 | 0.83 | ERN1 (0.53) | ERN1MCL1CTSAS1PR5FFAR1 | |
| SCHEMBL8993210 | 0.83 | ERN1 (0.56) | ERN1CTSAS1PR5MRGPRX4KDM4E | |
| SCHEMBL8619252 | 0.83 | ERN1 (0.53) | ERN1MCL1CTSAS1PR5FFAR1 | |
| SCHEMBL1128800 | 0.82 | S1PR5 (0.52) | ERN1S1PR5MRGPRX4LMNA | |
| SCHEMBL8612029 | 0.82 | ERN1 (0.52) | ERN1CTSAS1PR5MRGPRX4ESR2 | |
| SCHEMBL10093047 | 0.82 | ERN1 (0.55) | ERN1MCL1CTSAS1PR5MRGPRX4 |
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-5545747-A | STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1996-08-13 | — | — | US | disclosed |
| EP-0496896-A1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1992-08-05 | — | — | EP | disclosed |