Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 3/20 | 0.49 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.48 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30938036 | 1.00 | BCAT2 (0.50) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27771531 | 0.89 | AR (0.57) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27668161 | 0.84 | BCAT2 (0.54) | BCAT2CSNK1A1TYRO3DYRK1BALOX5AP | |
| SCHEMBL27668162 | 0.82 | BCAT2 (0.49) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL21988522 | 0.81 | PARP1 (0.40) | PARP1ARGSK3BMAPK14CCNC | |
| SCHEMBL31621279 | 0.80 | SLC6A2 (0.64) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL31621280 | 0.80 | SLC6A2 (0.64) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27600720 | 0.77 | ALDH1A1 (0.56) | GSK3BMEN1ALDH1A1CASP1CASP7 | |
| SCHEMBL7951895 | 0.76 | PARP1 (0.53) | BCAT2PARP1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL30838469 | 0.75 | MCL1 (0.66) | ARGSK3BMEN1KMT2ACCNC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023235837-A2 | 4-(3H-PYRAZOLO[4,3-F]QUINOLIN-7-YL)-N-(2-(DIMETHYLAMINO)ETHYL)BENZAMIDE- OR HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | PURDUE RESEARCH FOUNDATION (US) | 2023-12-07 | — | — | WO | disclosed |
| CN-1289087-C | Quinoline derivatives as neuropeptide y antagonists | HOFFMANN LA ROCHE (CH) | 2006-12-13 | — | — | CN | disclosed |
| CN-1607951-A | Quinoline derivatives as neuropeptide y antagonists | HOFFMANN LA ROCHE (CH) | 2005-04-20 | — | — | CN | disclosed |
| EP-1310498-A2 | Pyrazoloquinolinone derivatives as protein kinase C inhibitors | PFIZER INC. (US) | 2003-05-14 | — | — | EP | disclosed |