Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.32 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.30 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20407572 | 0.86 | RAB9A (0.36) | S1PR3CYP3A4CYP2C8RAB9AS1PR1 | |
| SCHEMBL19855957 | 0.85 | RAB9A (0.34) | RAB9AS1PR1SGPL1CYP2C9PTGES | |
| SCHEMBL19855949 | 0.82 | CYP2C9 (0.34) | S1PR3CYP3A4CYP2C8RAB9AS1PR1 | |
| SCHEMBL20407510 | 0.81 | CNR1 (0.36) | S1PR3CYP3A4CYP2C8ITGB3ITGA2B | |
| SCHEMBL20322669 | 0.80 | PPARG (0.32) | RAB9A | |
| SCHEMBL20407488 | 0.79 | FFAR4 (0.33) | S1PR3RAB9AS1PR1SGPL1S1PR4 | |
| SCHEMBL20407382 | 0.78 | S1PR3 (0.33) | S1PR3RAB9AS1PR1SGPL1S1PR4 | |
| SCHEMBL20407366 | 0.77 | MMP2 (0.40) | S1PR3CYP3A4CYP2C8S1PR1SGPL1 | |
| SCHEMBL20407519 | 0.76 | CYP2C9 (0.39) | RAB9ACYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL20407460 | 0.76 | CYP2C9 (0.40) | CYP3A4RAB9ACYP2C9ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351525-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2018-07-25 | — | — | EP | disclosed |