Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL20005246 | 0.94 | ESR1 (0.36) | ESR1ESR2CYP11B1CYP11B2GRM5 | |
| SCHEMBL20004905 | 0.93 | ESR1 (0.34) | ESR1ESR2PDE3BPDE3AGRM5 | |
| SCHEMBL20004890 | 0.91 | CYP1A2 (0.35) | ESR1ESR2CYP11B1CYP11B2GRM5 | |
| SCHEMBL20004902 | 0.89 | RARB (0.37) | ESR1ESR2MAPT | |
| SCHEMBL20004854 | 0.87 | CYP1A2 (0.34) | ESR1ESR2CYP11B1CYP11B2GRM5 | |
| SCHEMBL20005219 | 0.87 | HMOX1 (0.38) | AKR1C3AKR1C2 | |
| SCHEMBL20004637 | 0.87 | GRM5 (0.37) | CYP11B1CYP11B2GRM5KIF11CYP1A2 | |
| SCHEMBL20005221 | 0.87 | GRM5 (0.37) | CYP11B1CYP11B2GRM5KIF11CYP1A2 | |
| SCHEMBL20004910 | 0.85 | GRM5 (0.33) | AKR1C3AKR1C2PDE3BPDE3AGRM5 | |
| SCHEMBL20005270 | 0.85 | ACACB (0.35) | AKR1C3AKR1C2GRM5MAPT |
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 |