Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 12/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19999430 | 0.86 | ACACB (0.40) | ACACBRARARARB | |
| SCHEMBL19999364 | 0.85 | ACACB (0.43) | ACACBRARARARBHTTRECQL | |
| SCHEMBL20005281 | 0.83 | RARA (0.40) | ACACBRARARARB | |
| SCHEMBL20004768 | 0.83 | RARB (0.45) | ACACBRARARARBCYP1A2CYP2D6 | |
| SCHEMBL20004797 | 0.83 | S1PR1 (0.37) | ACACBRARARARB | |
| SCHEMBL20004614 | 0.80 | RARB (0.41) | ACACBRARARARBCYP2D6 | |
| SCHEMBL20004839 | 0.80 | GRM5 (0.34) | ACACBRARARARBKDM4E | |
| SCHEMBL19999373 | 0.79 | TUBB4A (0.45) | ACACB | |
| SCHEMBL20004548 | 0.79 | DRD2 (0.40) | ACACBKDM4ESMN1; SMN2 | |
| SCHEMBL20004752 | 0.78 | IDH1 (0.36) | ACACB |
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 |