Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993272 | 0.83 | MAOB (0.35) | CYP17A1CYP11B1CYP11B2CYP3A4TAAR1 | |
| SCHEMBL19993269 | 0.76 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993397 | 0.76 | — | — | |
| SCHEMBL19993387 | 0.75 | TTR (0.44) | CYP11B1CYP11B2CYP19A1TSHR | |
| SCHEMBL19993428 | 0.74 | SLC6A4 (0.37) | CYP11B1CYP11B2ESR1ALDH1A1TSHR | |
| SCHEMBL16603396 | 0.73 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993403 | 0.72 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993392 | 0.72 | CYP17A1 (0.36) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993267 | 0.71 | CYP17A1 (0.55) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993270 | 0.69 | MAOB (0.56) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512920-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |
| WO-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |