Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.41 |
| ▸ | SGPL1 | O95470 | 4/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14526546 | 0.96 | CYP3A4 (0.48) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6159067 | 0.91 | HTR1D (0.39) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL14526308 | 0.90 | DGAT1 (0.40) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL14526545 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11141651 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL26371410 | 0.84 | CYP3A4 (0.45) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11139114 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11139103 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11135044 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11139547 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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-7198827-B1 | Nematic liquid crystal composition and liquid crystal display device using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-04-03 | — | — | US | disclosed |