Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.50 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | LSS | P48449 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897423 | 0.85 | HTR2C (0.49) | ALDH1A1ADRA2CJAK2JAK3PTK2 | |
| SCHEMBL7652825 | 0.84 | LMNA (0.54) | HTTCHKAALDH1A1KDM4EMAPT | |
| SCHEMBL7652722 | 0.83 | LMNA (0.53) | KMT2AMEN1HTTL3MBTL1ALDH1A1 | |
| SCHEMBL17902923 | 0.83 | KDM4E (0.53) | KMT2ACHKAALDH1A1KDM4EMAPT | |
| SCHEMBL17902922 | 0.82 | RPS6KA3 (0.45) | KMT2ACHKASIRT6GFERJAK2 | |
| SCHEMBL6561315 | 0.81 | PKM (0.58) | KMT2AMEN1HTTALDH1A1KDM4E | |
| SCHEMBL17897410 | 0.80 | MEN1 (0.37) | KMT2AMEN1HTTL3MBTL1MAP4K1 | |
| SCHEMBL17902921 | 0.80 | ALDH1A1 (0.63) | HTTSIRT6ALDH1A1KDM4ETSHR | |
| SCHEMBL28170767 | 0.79 | AKR1C3 (0.58) | KMT2AMEN1SIRT6MAP4K1ALDH1A1 | |
| SCHEMBL6877901 | 0.79 | SIRT6 (0.56) | KMT2AMEN1CHKASIRT6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016107542-A1 | PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 成都先导药物开发有限公司 | 2016-07-07 | — | — | WO | disclosed |
| WO-2016107544-A1 | INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 成都先导药物开发有限公司 | 2016-07-07 | — | — | WO | disclosed |
| CN-105732458-A | Pyrrole amide compounds, preparation method and applications thereof | 成都先导药物开发有限公司 | 2016-07-06 | — | — | CN | disclosed |