Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | USP7 | Q93009 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265325 | 0.94 | RARB (0.41) | RARARARBNPC1ALDH1A1MAPT | |
| SCHEMBL22268268 | 0.89 | S1PR1 (0.42) | RARARARBMEN1ALDH1A1MAPT | |
| SCHEMBL22022025 | 0.87 | APP (0.45) | MAPTESR1ESR2USP7APP | |
| SCHEMBL18418549 | 0.86 | RARA (0.36) | RARARARBNPC1ALDH1A1MAPT | |
| SCHEMBL20975632 | 0.85 | RARA (0.35) | RARARARBNPC1ALDH1A1MAPT | |
| SCHEMBL16265191 | 0.84 | RARB (0.48) | RARARARBNPC1MAPTRAB9A | |
| SCHEMBL16265330 | 0.84 | RARB (0.40) | RARARARBNPC1ALDH1A1MAPT | |
| SCHEMBL16265326 | 0.83 | AHR (0.38) | GAAMEN1NPC1ALDH1A1MAPT | |
| SCHEMBL17176869 | 0.83 | APP (0.33) | RARARARBESR1ESR2USP7 | |
| SCHEMBL25070538 | 0.82 | RARA (0.32) | RARARARB |
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-3487955-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-20 | — | — | EP | disclosed |
| WO-2018015320-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | WO | disclosed |