Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | FEN1 | P39748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27027384 | 0.98 | CYP3A4 (0.41) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL27027380 | 0.95 | CYP3A4 (0.36) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL24300712 | 0.87 | CYP3A4 (0.36) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL24300686 | 0.87 | CYP3A4 (0.38) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL26481787 | 0.86 | CTSK (0.34) | CYP3A4CYP2C9APPCTSKCTSC | |
| SCHEMBL24301016 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL24300687 | 0.86 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL27027370 | 0.85 | ALOX5AP (0.36) | CYP3A4CYP2C9APPCYP2D6GRIN2B | |
| SCHEMBL24300719 | 0.85 | CYP3A4 (0.37) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL24300685 | 0.85 | CYP3A4 (0.37) | CYP3A4CYP2C9APPCYP2D6ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20240067879-A1 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| US-20240067879-A1 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| EP-4306615-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2024-01-17 | — | — | EP | disclosed |