Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL2600037 | 0.88 | ESR1 (0.50) | ENPP2EPHX2NR1H4CA2PTPN1 | |
| SCHEMBL6364291 | 0.81 | KIF11 (0.50) | KIF11PTGS2 | |
| SCHEMBL8133933 | 0.80 | ENPP2 (0.48) | ENPP2EPHX2NR1H4CA2PTPN1 | |
| SCHEMBL14462577 | 0.78 | ENPP2 (0.42) | ENPP2EPHX2NR1H4CA2PTGS2 | |
| SCHEMBL8521854 | 0.78 | EPHX2 (0.43) | ENPP2EPHX2NR1H4PTPN1PTGS2 | |
| SCHEMBL6609254 | 0.76 | EPHX2 (0.47) | ENPP2EPHX2NR1H4PTPN1PTGS2 | |
| SCHEMBL8562357 | 0.76 | EPHX2 (0.43) | ENPP2EPHX2NR1H4CA1CA2 | |
| SCHEMBL8081741 | 0.76 | ENPP2 (0.44) | ENPP2EPHX2NR1H4CA2PTPN1 | |
| SCHEMBL15800267 | 0.76 | PTGS2 (0.45) | ENPP2EPHX2NR1H4CA12CA1 | |
| SCHEMBL18403162 | 0.76 | EPHX2 (0.40) | ENPP2EPHX2NR1H4CA2PTGS2 |
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-109824472-A | novel method for synthesizing gem-difluoroalkane and α -fluorocarboxylic acid | 南京工业大学 | 2019-05-31 | — | — | CN | disclosed |