Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.31 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.31 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.31 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.31 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19119902 | 0.93 | RARA (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21537515 | 0.90 | APP (0.34) | APPCYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL18418546 | 0.90 | RARA (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21537527 | 0.86 | APP (0.39) | APPCYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL19119557 | 0.84 | RARA (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18418550 | 0.84 | BDKRB2 (0.38) | — | |
| SCHEMBL21537419 | 0.83 | APP (0.33) | APPPRF1 | |
| SCHEMBL17176870 | 0.83 | RARA (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18418543 | 0.82 | RARA (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19119878 | 0.82 | RARA (0.36) | CYP1A2CYP3A4CYP2D6 |
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-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3129829-B1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2019-10-30 | — | — | EP | disclosed |