Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993269 | 0.89 | CYP17A1 (0.41) | PTGS1GRM2MAOBMAPK14GCGR | |
| SCHEMBL15213953 | 0.81 | MAPK14 (0.41) | PTGS1MAPK14GCGR | |
| SCHEMBL19993393 | 0.81 | TTR (0.30) | — | |
| SCHEMBL13624599 | 0.80 | MAOB (0.44) | PTGS1GRM2MAOBIDO1LOXL2 | |
| SCHEMBL16941050 | 0.77 | PTGS1 (0.46) | PTGS1GRM2MAOBMAPK14GCGR | |
| SCHEMBL19993382 | 0.77 | LOXL2 (0.43) | LOXL2CYP11B1CYP11B2 | |
| SCHEMBL22621245 | 0.76 | SLC6A4 (0.41) | GRM2CYP11B1CYP11B2 | |
| SCHEMBL19993272 | 0.76 | MAOB (0.35) | MAOBMAPK14IDO1LOXL2PTPN5 | |
| SCHEMBL18294154 | 0.74 | ACHE (0.46) | GRM2MAPK14GCGRAPPMAPT | |
| SCHEMBL19993390 | 0.72 | CYP17A1 (0.32) | CYP17A1CYP11B1CYP11B2 |
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 |