Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 3/20 | 0.33 |
| ▸ | CHUK | O15111 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EEF2K | O00418 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | PRNP | P04156 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL17238839 | 0.93 | RPS6KB1 (0.32) | ALDH1A1LMNANCOA1NCOA3IKBKB | |
| SCHEMBL19244712 | 0.75 | KDM4E (0.44) | ALDH1A1MEN1KMT2A | |
| SCHEMBL17403034 | 0.74 | ERN1 (0.39) | ALDH1A1LMNAIKBKBCHUKMEN1 | |
| SCHEMBL7165339 | 0.73 | TSHR (0.53) | ALDH1A1LMNANCOA1NCOA3IKBKB | |
| SCHEMBL30514821 | 0.73 | CASP1 (0.33) | ALDH1A1LMNANCOA1NCOA3MEN1 | |
| SCHEMBL14645992 | 0.72 | KDM4E (0.42) | MEN1KMT2APPARG | |
| SCHEMBL30514826 | 0.72 | CASP1 (0.32) | ALDH1A1LMNANCOA1NCOA3MEN1 | |
| SCHEMBL21633060 | 0.70 | MAPT (0.38) | ALDH1A1LMNAIKBKBMEN1KMT2A | |
| SCHEMBL17818478 | 0.69 | ERN1 (0.44) | ALDH1A1LMNAIKBKBCHUKMEN1 | |
| SCHEMBL2379171 | 0.69 | KDM4E (0.46) | ALDH1A1LMNADGAT1GAAL3MBTL1 |
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-104003976-B | Polysubstituted pyridine base pyrazole amide and its production and use | ZHAOQING ZHENGE BIOTECHNOLOGY CO.,LTD. (CN) | 2016-03-16 | — | — | CN | disclosed |
| CN-104003976-A | Polysubstituted pyridyl pyrazole amide and its preparation method and use | ZHAOQING ZHENGE BIOTECHNOLOGY CO LTD | 2014-08-27 | — | — | CN | disclosed |