Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL1920801 | 0.85 | ESR2 (0.33) | ESR2HRH3AKR1A1AKR1B1 | |
| SCHEMBL8835221 | 0.84 | ESR2 (0.53) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12474631 | 0.79 | ESR2 (0.49) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7150553 | 0.79 | ESR2 (0.58) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31342442 | 0.79 | ESR2 (0.49) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20010618 | 0.79 | ESR2 (0.49) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13262730 | 0.77 | ESR2 (0.47) | ESR2HRH3TBK1 | |
| SCHEMBL1506697 | 0.76 | ESR2 (0.49) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29186871 | 0.76 | ESR2 (0.49) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7851951 | 0.76 | ESR2 (0.47) | ESR2PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-6057006-A | COMPARATIVELY HIGH CLEARING POINT AND LOW POSITIVE OR NEGATIVE DIELECTRIC ANISOTROPY SUITABLE AS COMPONENTS OF LIQUID-CRYSTALLINE MEDIA, IN PARTICULAR FOR TFT AND STN DISPLAYS. | MERCK PATENT GESELLSCHAFT (DE) | 2000-05-02 | — | — | US | disclosed |