Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5734084 | 0.81 | TAAR1 (0.54) | TAAR1DAOMPOSLC6A4GAA | |
| SCHEMBL18006940 | 0.80 | TAAR1 (0.39) | TAAR1DAOMPOSLC6A4GAA | |
| SCHEMBL23789712 | 0.80 | MEN1 (0.51) | SLC6A4SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL21312981 | 0.77 | MEN1 (0.49) | TAAR1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL18378627 | 0.77 | TAAR1 (0.41) | TAAR1DAOMPOSLC6A4GAA | |
| SCHEMBL7701701 | 0.77 | TAAR1 (0.52) | TAAR1DAOGAASMN1; SMN2KDM4E | |
| SCHEMBL6085227 | 0.75 | TAAR1 (0.71) | TAAR1DAOMPOSLC6A4GAA | |
| SCHEMBL97549 | 0.75 | DAO (0.37) | TAAR1DAOGAASMN1; SMN2MEN1 | |
| SCHEMBL97550 | 0.75 | DAO (0.37) | TAAR1DAOGAASMN1; SMN2MEN1 | |
| SCHEMBL6130256 | 0.74 | TAAR1 (0.42) | TAAR1DAOMPOSLC6A4GAA |
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-104817438-B | A kind of alkylation of fluorine-containing aryl halide | 上海万溯化学有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-104817438-A | Alkylation method of fluorine-containing aryl halid | SHANGHAI WANSHUO CHEMICAL CO LTD | 2015-08-05 | — | — | CN | disclosed |