Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL9478832 | 0.83 | ESR2 (0.49) | ESR2KDM4EL3MBTL1GABRG2GABRB3 | |
| SCHEMBL9478721 | 0.83 | ESR2 (0.49) | ESR2KDM4EL3MBTL1GABRG2GABRB3 | |
| Ethylene SCHEMBL28042734 | 0.83 | ESR2 (0.64) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| SCHEMBL223 | 0.83 | ESR2 (0.69) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| SCHEMBL29662886 | 0.83 | ESR2 (0.69) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| Water SCHEMBL3178714 | 0.83 | ESR2 (0.69) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| Acrylic Acid SCHEMBL211815 | 0.83 | ESR2 (0.56) | ESR2KDM4EL3MBTL1GABRG2GABRB3 | |
| Hydrochloric Acid SCHEMBL6985442 | 0.81 | ESR2 (0.67) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| Methane SCHEMBL8312669 | 0.81 | ESR2 (0.67) | ESR2KDM4EGABRG2GABRB3GABRA5 | |
| Fluoride SCHEMBL27583847 | 0.81 | ESR2 (0.67) | ESR2KDM4EGABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102959049-B | For liquid crystal preparation and the structure of smectic A optics | CAMBRIDGE ENTERPRISE LTD. (GB) | 2016-01-06 | — | — | CN | disclosed |