Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19993390 | 0.77 | CYP17A1 (0.32) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL19993285 | 0.74 | TTR (0.33) | — | |
| SCHEMBL19993424 | 0.72 | CASR (0.35) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL19993384 | 0.72 | CYP19A1 (0.33) | CYP11B1CYP11B2CYP19A1ESR2 | |
| SCHEMBL19993395 | 0.71 | — | — | |
| SCHEMBL19993269 | 0.71 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993267 | 0.69 | CYP17A1 (0.55) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL19993394 | 0.67 | TTR (0.31) | — | |
| SCHEMBL19993271 | 0.67 | PTGS1 (0.38) | CYP17A1CYP11B1CYP11B2CYP3A4MAOB | |
| SCHEMBL20539220 | 0.66 | HRH3 (0.47) | GRM2ALDH1A1TSHR |
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 |