Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20004874 | 0.82 | RARB (0.36) | RARBRARAS1PR1CYP3A4CYP2D6 | |
| SCHEMBL9509953 | 0.79 | CYP2D6 (0.37) | RARBRARACYP3A4CYP2D6MCHR1 | |
| SCHEMBL9512360 | 0.76 | DRD2 (0.35) | CYP2D6AAK1ACACBALDH1A1GAA | |
| SCHEMBL20005235 | 0.76 | S1PR1 (0.36) | RARBRARAS1PR1FAAHACACB | |
| SCHEMBL20004816 | 0.76 | S1PR1 (0.36) | RARBRARAS1PR1FAAHACACB | |
| SCHEMBL9509499 | 0.76 | ALDH1A1 (0.36) | RARBCYP3A4CYP2D6MCHR1AAK1 | |
| SCHEMBL20004813 | 0.74 | CYP2D6 (0.43) | RARBRARACYP3A4CYP2D6MCHR1 | |
| SCHEMBL10976642 | 0.74 | S1PR1 (0.47) | RARBRARAS1PR1CYP3A4CYP2D6 | |
| SCHEMBL10514590 | 0.74 | MAPT (0.37) | RARBAAK1ACACBALDH1A1GAA | |
| SCHEMBL20005267 | 0.73 | RARA (0.39) | RARBRARACYP3A4CYP2D6MCHR1 |
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-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |