Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17521747 | 0.95 | BACE1 (0.48) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25945052 | 0.93 | BACE1 (0.47) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20275237 | 0.93 | CYP1A2 (0.50) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20842596 | 0.93 | BACE1 (0.54) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24440903 | 0.92 | BACE1 (0.51) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18308840 | 0.88 | BACE1 (0.47) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21101841 | 0.87 | ELANE (0.50) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18308845 | 0.87 | BACE1 (0.42) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24440525 | 0.87 | BACE1 (0.43) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25944817 | 0.87 | CYP2C19 (0.42) | BACE1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4056667-B1 | LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-08-02 | — | — | EP | disclosed |