Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL20005258 | 0.94 | RARA (0.33) | RARARARB | |
| SCHEMBL19999500 | 0.88 | — | — | |
| SCHEMBL19999632 | 0.82 | — | — | |
| SCHEMBL20004842 | 0.79 | RARB (0.36) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19999598 | 0.78 | — | — | |
| SCHEMBL20004622 | 0.73 | MCHR1 (0.40) | RARARARBCYP3A4CYP2D6 | |
| SCHEMBL20005298 | 0.72 | — | — | |
| SCHEMBL19999564 | 0.72 | RARB (0.32) | RARB | |
| SCHEMBL20004918 | 0.71 | ESR1 (0.33) | — | |
| SCHEMBL19999571 | 0.71 | — | — |
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 |