Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 9/20 | 0.31 |
| ▸ | PPARD | Q03181 | 2/20 | 0.31 |
| ▸ | PPARA | Q07869 | 3/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20171741 | 0.98 | PPARG (0.32) | RARARARBRARGPPARGPPARD | |
| SCHEMBL20171722 | 0.96 | RARA (0.32) | RARARARBRARGPPARGPPARD | |
| SCHEMBL19796632 | 0.95 | PPARG (0.33) | RARARARBRARGPPARGPPARD | |
| SCHEMBL19797021 | 0.94 | TSHR (0.32) | PPARGPPARDPPARATSHR | |
| SCHEMBL17070423 | 0.93 | PPARD (0.33) | PPARGPPARDPPARATSHR | |
| SCHEMBL20171761 | 0.93 | TSHR (0.34) | PPARGPPARDPPARAPDE5ACA1 | |
| SCHEMBL20171709 | 0.93 | TSHR (0.34) | PPARGPPARDPPARAPDE5ACA1 | |
| SCHEMBL19796640 | 0.92 | TSHR (0.33) | RARARARBRARGPPARGPPARD | |
| SCHEMBL20171737 | 0.91 | TSHR (0.34) | PPARGPPARDPPARACA1CA2 | |
| SCHEMBL19796633 | 0.91 | TSHR (0.34) | PPARGPPARDPPARACA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |