Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25C | P30307 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25878374 | 0.82 | CYP1A1 (0.33) | ALDH1A1HPGDELANECYP1A1CYP1A2 | |
| SCHEMBL13563998 | 0.79 | KIF11 (0.46) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL13563983 | 0.78 | MAOB (0.48) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL22068539 | 0.78 | ALDH1A1 (0.42) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL11976514 | 0.78 | MCL1 (0.43) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL25878530 | 0.77 | ALDH1A1 (0.37) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL16273156 | 0.76 | AR (0.40) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL26771753 | 0.75 | MAOB (0.40) | ALDH1A1GAAHPGDMAOBMAPT | |
| SCHEMBL25878528 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL23795525 | 0.73 | MAOB (0.39) | ALDH1A1GAAHPGDMAOBMAPT |
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-2023134594-A1 | NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT | 烟台显华科技集团股份有限公司 | 2023-07-20 | — | — | WO | disclosed |