Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL1045916 | 0.70 | — | — | |
| SCHEMBL31180751 | 0.70 | KHK (0.41) | KHKTRPV4ESR1ESR2CYP11B2 | |
| SCHEMBL9844450 | 0.70 | TRPV4 (0.38) | KHKTRPV4ESR1ESR2CYP11B2 | |
| SCHEMBL6591569 | 0.67 | CYP11B1 (0.36) | CYP11B2CYP11B1 | |
| SCHEMBL8663254 | 0.67 | KHK (0.47) | KHKTRPV4ESR1ESR2CYP11B2 | |
| SCHEMBL1387709 | 0.67 | TRPV4 (0.39) | TRPV4CYP11B2CYP11B1 | |
| SCHEMBL1754068 | 0.67 | GAA (0.32) | — | |
| SCHEMBL3075785 | 0.67 | AR (0.35) | KHKTRPV4ESR1ESR2CYP11B2 | |
| SCHEMBL3075273 | 0.67 | ALDH1A1 (0.36) | KHKTRPV4CYP11B2CYP11B1 | |
| SCHEMBL6081126 | 0.66 | CYP3A4 (0.43) | KHKTRPV4 |
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-104788341-B | A kind of method preparing 2,6-difluorobenzonilyile | 上海泰禾国际贸易有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104788341-A | Method for preparing 2, 6-difluorobenzonitrile | SHANGHAI CAC CHEMICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |