Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 3/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 5/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19793159 | 0.86 | CDC7 (0.36) | GRM4SCD5SMN1; SMN2RAB9AHPGD | |
| SCHEMBL3092114 | 0.86 | SMN1; SMN2 (0.38) | GRM4SMN1; SMN2RAB9AHPGDMEN1 | |
| SCHEMBL19793141 | 0.80 | ALDH1A1 (0.34) | SCD5SMN1; SMN2HPGDMAPTACHE | |
| SCHEMBL12589310 | 0.80 | GRM4 (0.42) | GRM4SMN1; SMN2HPGDMAPTESR1 | |
| SCHEMBL21649228 | 0.80 | GRM4 (0.42) | GRM4RAB9AMEN1KMT2AMAPT | |
| SCHEMBL12589280 | 0.79 | KMT2A (0.46) | GRM4SMN1; SMN2RAB9AHPGDMEN1 | |
| SCHEMBL12589320 | 0.79 | ESR1 (0.53) | SMN1; SMN2MAPTESR1ESR2HSP90AA1 | |
| SCHEMBL12589297 | 0.79 | GRM4 (0.41) | GRM4SMN1; SMN2ACHE | |
| SCHEMBL13244919 | 0.77 | ESR1 (0.39) | SCD5HPGDMEN1KMT2AACHE | |
| SCHEMBL25597049 | 0.76 | GRM4 (0.40) | GRM4RAB9AHPGDESR1ESR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105936633-B | 5-（3- isopropyl benzoisoxazoles）Pyrazine -2- amine and preparation method thereof | 广东环境保护工程职业学院 | 2018-11-09 | — | — | CN | claimed |
| CN-105753802-B | 3- isopropyl -6- bromine benzoisoxazoles and preparation method thereof | 广东环境保护工程职业学院 | 2018-06-05 | — | — | CN | claimed |
| CN-105712945-B | 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-01 | — | — | CN | disclosed |
| CN-105936633-B | 5-（3- isopropyl benzoisoxazoles）Pyrazine -2- amine and preparation method thereof | 广东环境保护工程职业学院 | 2018-11-09 | — | — | CN | disclosed |
| CN-105753802-B | 3- isopropyl -6- bromine benzoisoxazoles and preparation method thereof | 广东环境保护工程职业学院 | 2018-06-05 | — | — | CN | disclosed |
| CN-105753802-B | 3- isopropyl -6- bromine benzoisoxazoles and preparation method thereof | 广东环境保护工程职业学院 | 2018-06-05 | — | — | CN | disclosed |
| CN-105753802-A | 3-isopropyl-6-bromine benzisoxazole and preparing method thereof | 广东环境保护工程职业学院 | 2016-07-13 | — | — | CN | disclosed |
| CN-105753802-A | 3-isopropyl-6-bromine benzisoxazole and preparing method thereof | 广东环境保护工程职业学院 | 2016-07-13 | — | — | CN | disclosed |