Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528493 | 1.00 | SPHK1 (0.47) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8527886 | 0.96 | CYP3A4 (0.47) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8530874 | 0.96 | SPHK1 (0.44) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8530872 | 0.96 | SPHK1 (0.44) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8527889 | 0.96 | CYP3A4 (0.47) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8529812 | 0.95 | SPHK1 (0.43) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8528729 | 0.95 | ESR1 (0.50) | SPHK1CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL8528727 | 0.95 | ESR1 (0.50) | SPHK1CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL8529810 | 0.95 | SPHK1 (0.43) | SPHK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8531682 | 0.95 | ESR1 (0.50) | SPHK1CYP3A4CYP2D6CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733610-B1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | CHISSO CORP (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5635108-A | A HEXYNEDIENE DERIVATIVE | CHISSO CORPORATION (JP) | 1997-06-03 | — | — | US | disclosed |
| EP-0733610-A1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | Chisso Corporation (JP) | 1996-09-25 | — | — | EP | disclosed |