Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | ATP4A | P20648 | 3/20 | 0.39 |
| ▸ | ATP4B | P51164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GAK | O14976 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265191 | 0.95 | RARB (0.48) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL21134114 | 0.89 | CYP11B1 (0.45) | CYP3A4CYP2C19POLBL3MBTL1CYP11B1 | |
| SCHEMBL16265268 | 0.88 | RARB (0.43) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL19456752 | 0.88 | RARB (0.43) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL17696654 | 0.87 | RARA (0.40) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL22902144 | 0.86 | CYP11B1 (0.35) | RARARARBCYP2D6CYP3A4CYP19A1 | |
| SCHEMBL16265325 | 0.85 | RARB (0.41) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL17694360 | 0.85 | RARB (0.41) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL16265233 | 0.85 | ALDH1A1 (0.43) | RARARARBCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL16265330 | 0.84 | RARB (0.40) | RARARARBCYP2D6CYP3A4CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3400271-B1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3400270-B1 | DEVICE FOR REGULATING ENTRY OF LIGHT | MERCK PATENT GMBH (DE) | 2020-04-29 | — | — | EP | disclosed |
| EP-3129829-B1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2019-10-30 | — | — | EP | disclosed |
| WO-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |