Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9405693 | 0.96 | SPHK1 (0.38) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL9405690 | 0.96 | SPHK1 (0.38) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL17614856 | 0.94 | SPHK1 (0.40) | SPHK1SPHK2CYP2C9ESR2 | |
| SCHEMBL22277616 | 0.92 | CYP2C9 (0.41) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL18779730 | 0.92 | SPHK1 (0.47) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL9406042 | 0.91 | SPHK1 (0.40) | SPHK1SPHK2CYP2C9ESR2 | |
| SCHEMBL9405765 | 0.91 | SPHK1 (0.38) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL9405762 | 0.91 | SPHK1 (0.38) | SPHK1FFAR4SPHK2CYP2C9ESR2 | |
| SCHEMBL9406035 | 0.91 | SPHK1 (0.40) | SPHK1SPHK2CYP2C9ESR2 | |
| SCHEMBL9406065 | 0.90 | SPHK1 (0.42) | SPHK1SPHK2CYP2C9ESR2 |
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 |