Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.58 |
| ▸ | PTPN5 | P54829 | 5/20 | 0.56 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | RXRA | P19793 | 2/20 | 0.49 |
| ▸ | RXRB | P28702 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297682 | 1.00 | PTPN1 (0.58) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL18210650 | 0.87 | KIF11 (0.60) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL1623873 | 0.86 | KIF11 (0.55) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL25693197 | 0.84 | KIF11 (0.68) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL307920 | 0.82 | KIF11 (0.62) | PTPN1PTPN5KIF11ALDH1A1TSHR | |
| SCHEMBL29420699 | 0.82 | KIF11 (0.62) | PTPN1PTPN5KIF11ALDH1A1TSHR | |
| SCHEMBL3681495 | 0.82 | KIF11 (0.53) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL779683 | 0.82 | KIF11 (0.70) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL16087812 | 0.82 | KIF11 (0.59) | PTPN1PTPN5KIF11RXRARXRB | |
| SCHEMBL24106776 | 0.80 | KIF11 (0.67) | PTPN1PTPN5KIF11ALDH1A1TSHR |
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-110872206-A | Reduction coupling method for synthesizing 1, 1-difluoroethyl aromatic compound | 山东理工大学 | 2020-03-10 | — | — | CN | disclosed |
| CN-109704914-A | A kind of facile syntheesis new method of 1,1- bis-fluoro ethyls aromatic compound | 山东理工大学 | 2019-05-03 | — | — | CN | disclosed |