Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9716008 | 0.86 | ESR2 (0.38) | ESR2DRD2SPHK1 | |
| SCHEMBL9716013 | 0.86 | ESR2 (0.38) | ESR2DRD2SPHK1 | |
| SCHEMBL9759358 | 0.85 | SPHK1 (0.43) | ESR2SPHK1P2RY14 | |
| SCHEMBL9757625 | 0.85 | CYP2C9 (0.38) | ESR2CYP2C9DRD2SPHK1ALDH1A1 | |
| SCHEMBL9758770 | 0.84 | CYP2C9 (0.49) | ESR2CYP2C9SPHK1ALDH1A1LMNA | |
| SCHEMBL9649156 | 0.82 | HRH3 (0.42) | ESR2HRH3P2RY14 | |
| SCHEMBL9758638 | 0.82 | SPHK1 (0.50) | SPHK1HRH3 | |
| SCHEMBL9649152 | 0.82 | HRH3 (0.42) | ESR2HRH3P2RY14 | |
| SCHEMBL9757895 | 0.81 | SPHK1 (0.56) | SPHK1HRH3 | |
| SCHEMBL9758672 | 0.81 | CYP2C9 (0.41) | ESR2CYP2C9SPHK1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017116213-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME | 주식회사 동진쎄미켐 | 2017-07-06 | — | — | WO | disclosed |