Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL20004904 | 0.93 | ESR1 (0.38) | ESR1ESR2PDE3BPDE3ACYP1A2 | |
| SCHEMBL20004890 | 0.91 | CYP1A2 (0.35) | ESR1ESR2CYP1A2CYP2A6GRM5 | |
| SCHEMBL20005270 | 0.90 | ACACB (0.35) | GRM5 | |
| SCHEMBL20005246 | 0.89 | ESR1 (0.36) | ESR1ESR2CYP1A2GRM5ERN1 | |
| SCHEMBL20004824 | 0.88 | KDM1A (0.35) | KDM1APDE3BPDE3AGRM5 | |
| SCHEMBL20004854 | 0.88 | CYP1A2 (0.34) | ESR1ESR2CYP1A2CYP2A6GRM5 | |
| SCHEMBL20004900 | 0.87 | HRH3 (0.36) | — | |
| SCHEMBL20004646 | 0.86 | KDM1A (0.31) | KDM1APDE3BPDE3A | |
| SCHEMBL19999495 | 0.84 | RARB (0.37) | ESR1ESR2 | |
| SCHEMBL20005209 | 0.84 | MCHR1 (0.36) | KDM1AGRM5 |
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 |