Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.33 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL9020647 | 0.92 | ALDH1A1 (0.34) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL10051627 | 0.90 | CYP2C9 (0.42) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL2606424 | 0.90 | CYP2C9 (0.42) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL13264592 | 0.89 | ALDH1A1 (0.32) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL2606304 | 0.88 | CYP2C9 (0.36) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL18538126 | 0.84 | CYP3A4 (0.40) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9927747 | 0.83 | FASN (0.39) | CYP2C9ALDH1A1MAPTMAPK1 | |
| SCHEMBL10152260 | 0.83 | CYP2C9 (0.36) | ESR2CYP2C9CYP3A4ALDH1A1DGAT1 | |
| SCHEMBL9015837 | 0.82 | CYP2C9 (0.33) | CYP2C9ALDH1A1MAPTMAPK1 | |
| SCHEMBL12821091 | 0.82 | ALDH1A1 (0.34) | ALDH1A1MAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120105791-A1 | POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS | NATIONAL SCIENCE FOUNDATION | 2012-05-03 | — | — | US | disclosed |