Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL22277671 | 0.94 | SPHK1 (0.35) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL22277670 | 0.93 | SPHK1 (0.42) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL22277621 | 0.89 | AOC3 (0.32) | SPHK1AOC3 | |
| SCHEMBL22277678 | 0.89 | SPHK1 (0.40) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL22277316 | 0.88 | CYP2C9 (0.37) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL22277666 | 0.88 | SPHK1 (0.34) | SPHK1AOC3SPHK2 | |
| SCHEMBL22277775 | 0.87 | SPHK1 (0.42) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL22277611 | 0.85 | CTSL (0.31) | MAOAMAOB | |
| SCHEMBL22277650 | 0.85 | SPHK1 (0.33) | SPHK1 | |
| SCHEMBL22277668 | 0.82 | SPHK1 (0.48) | SPHK1CYP2C9ALDH1A1LMNAMAPT |
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-20200239775-A1 | TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2020-07-30 | — | — | US | disclosed |