Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CETP | P11597 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | UBE2N | P61088 | 1/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL18047801 | 1.00 | SPHK1 (0.58) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL8638287 | 1.00 | SPHK1 (0.58) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL8998310 | 0.90 | — | — | |
| SCHEMBL22804708 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22804874 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22805015 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22804890 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22804812 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22804811 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN | |
| SCHEMBL22805047 | 0.84 | SPHK1 (0.68) | SPHK1CYP2D6MAPTLMNAGMNN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0415833-B1 | Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom | SHOWA SHELL SEKIYU (JP) | 1996-09-11 | — | — | EP | disclosed |
| EP-0422996-B1 | Liquid crystal compound | SHOWA SHELL SEKIYU (JP) | 1995-04-12 | — | — | EP | disclosed |
| US-5328641-A | Naphthalene ester derivatives with trifluoromethyl groups | SHOWA SHELL SEKIYU KABUSHIKI KAISHA | 1994-07-12 | — | — | US | disclosed |
| US-5207947-A | Trifluoroalkyl diaryl triesters; antiferroelectricity; electrooptics | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |
| EP-0422996-A2 | Liquid crystal compound | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-04-17 | — | — | EP | disclosed |
| EP-0415833-A2 | Optically active fluorine-containing alcohol compounds and liquid crystal compounds therefrom | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-03-06 | — | — | EP | disclosed |