Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL29492999 | 0.91 | GPR3 (0.39) | PLA2G10GPR3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL392860 | 0.91 | GPR3 (0.39) | PLA2G10GPR3ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9618084 | 0.80 | PLA2G10 (0.33) | PLA2G10GPR3ALDH1A1 | |
| SCHEMBL5089716 | 0.78 | PRNP (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL14399684 | 0.78 | IMPDH2 (0.40) | ALDH1A1CYP1A2CYP2C9HTR2AHSD17B10 | |
| SCHEMBL31737810 | 0.78 | HSD17B1 (0.37) | PLA2G10ALDH1A1TSHRNFKB1HSD17B10 | |
| SCHEMBL9554353 | 0.77 | ESR1 (0.33) | — | |
| SCHEMBL9554356 | 0.77 | STS (0.34) | — | |
| SCHEMBL6857097 | 0.76 | PLA2G10 (0.33) | PLA2G10ALDH1A1 | |
| SCHEMBL6498933 | 0.76 | PLA2G10 (0.37) | PLA2G10ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106905312-B | Has a Hg-pair ratio2+Asymmetric perfluorocyclopentene compound continuously selective with Cys and preparation method and application thereof | 江西科技师范大学 | 2020-05-15 | — | — | CN | disclosed |
| CN-106905312-A | With to Hg2+Continuously selective asymmetric perfluoro-cyclopentene compound and its preparation method and application with Cys | 江西科技师范大学 | 2017-06-30 | — | — | CN | disclosed |