Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12151755 | 0.77 | AR (0.52) | ARTAS2R14PTPN1PTPN6PTPN11 | |
| SCHEMBL29546917 | 0.77 | AR (0.52) | ARTAS2R14PTPN1PTPN6PTPN11 | |
| SCHEMBL13361828 | 0.76 | TRPV4 (0.38) | ARCES2CYP11B1CYP11B2KDM4E | |
| SCHEMBL11851930 | 0.73 | TAS2R14 (0.45) | ARTAS2R14PTPN1PTPN6PTPN11 | |
| SCHEMBL11851924 | 0.73 | TAS2R14 (0.45) | ARTAS2R14PTPN1PTPN6PTPN11 | |
| SCHEMBL17782865 | 0.73 | AR (0.49) | ARTAS2R14PTPN1PTPN6PTPN11 | |
| SCHEMBL12118827 | 0.73 | IDO1 (0.41) | CES2KDM4E | |
| SCHEMBL964361 | 0.73 | AR (0.49) | ARTAS2R14KIF11 | |
| SCHEMBL21159847 | 0.73 | MAOB (0.34) | — | |
| SCHEMBL495426 | 0.73 | CYP11B1 (0.57) | ARTAS2R14KIF11CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104926691-B | The preparation method of the trifluoromethylbenzonitrile of 2 nitro 4 | 江苏省农用激素工程技术研究中心有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-106631886-B | The preparation method of 2- nitro-4-trifluoromethyl Benzonitriles | 帕潘纳(北京)科技有限公司 | 2018-07-03 | — | — | CN | disclosed |
| CN-104926691-B | The preparation method of the trifluoromethylbenzonitrile of 2 nitro 4 | 江苏省农用激素工程技术研究中心有限公司 | 2018-01-19 | — | — | CN | disclosed |