Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 10/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20171766 | 1.00 | TSHR (0.36) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL20171742 | 0.97 | TSHR (0.36) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL19796641 | 0.97 | TSHR (0.36) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL20171761 | 0.96 | TSHR (0.34) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL20171709 | 0.96 | TSHR (0.34) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL20171722 | 0.93 | RARA (0.32) | TSHRPPARGPPARAPPARDCNR1 | |
| SCHEMBL20171737 | 0.92 | TSHR (0.34) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL19796633 | 0.92 | TSHR (0.34) | TSHRPPARGPPARAPPARDCA1 | |
| SCHEMBL22592268 | 0.91 | TSHR (0.33) | TSHRPPARGPPARAPPARDCNR1 | |
| SCHEMBL20171762 | 0.91 | TSHR (0.33) | TSHRPPARGPPARAPPARDCNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3323872-B1 | COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |
| US-20180142152-A1 | COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |
| US-20180142152-A1 | COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |
| EP-3323872-A1 | COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |