Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26110110 | 1.00 | CASP1 (0.47) | CASP1CASP7MAPK1MMP9MAOA | |
| SCHEMBL30621225 | 0.81 | KMT2A (0.58) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL22071670 | 0.81 | KMT2A (0.58) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL22071682 | 0.81 | KMT2A (0.58) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL5717810 | 0.78 | ALDH1A1 (0.58) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL26111945 | 0.77 | MEN1 (0.39) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL26111937 | 0.77 | MEN1 (0.39) | CASP1CASP7MAPK1ALDH1A1MEN1 | |
| SCHEMBL22830404 | 0.73 | GSR (0.52) | CASP1CASP7MAPK1MMP9MAOA | |
| SCHEMBL23965851 | 0.71 | MEN1 (0.72) | CASP1CASP7MAPK1MMP9MAOA | |
| SCHEMBL29457737 | 0.71 | MEN1 (0.72) | CASP1CASP7MAPK1MMP9MAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023191379-A1 | 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE | 재단법인 대구경북첨단의료산업진흥재단 | 2023-10-05 | — | — | WO | disclosed |