Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL10501881 | 1.00 | RARB (0.39) | RARBRORCALDH1A1RORANR1H4 | |
| SCHEMBL10501253 | 0.98 | RARB (0.36) | RARBRORCALDH1A1RORANR1H4 | |
| SCHEMBL10501706 | 0.96 | RARB (0.36) | RARBRORCRORANR1H4ESR1 | |
| SCHEMBL10502548 | 0.95 | RARB (0.35) | RARBRORCRORANR1H4ESR1 | |
| SCHEMBL10502614 | 0.92 | RARB (0.50) | RARBS1PR3HTR2A | |
| SCHEMBL10502368 | 0.92 | RARB (0.39) | RARBRORCRORANR1H4GRM2 | |
| SCHEMBL10501199 | 0.91 | CYP2C9 (0.38) | RARBRORCALDH1A1RORANR1H4 | |
| SCHEMBL10503061 | 0.91 | GAA (0.37) | RARBRORCRORANR1H4CYP3A4 | |
| SCHEMBL10503126 | 0.91 | GAA (0.37) | RARBRORCRORANR1H4CYP3A4 | |
| SCHEMBL10503127 | 0.91 | GAA (0.37) | RARBRORCRORANR1H4CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0154840-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GmbH (DE) | 1989-01-25 | — | — | EP | disclosed |
| US-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154840-A2 | Liquid crystal compounds | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |