Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.37 |
| ▸ | MMP2 | P08253 | 3/20 | 0.37 |
| ▸ | MMP3 | P08254 | 3/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1378510 | 0.97 | — | — | |
| SCHEMBL28471443 | 0.95 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL11598711 | 0.92 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL11598881 | 0.90 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL2987558 | 0.76 | — | — | |
| Butane SCHEMBL2238363 | 0.75 | HCAR2 (0.39) | ALDH1A1LMNAMMP1MMP2MMP3 | |
| SCHEMBL28798940 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL28323118 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL13895284 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL3072968 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111801833-A | Nonaqueous electrolyte solution and energy device using same | 三菱化学株式会社 | 2020-10-20 | — | — | CN | disclosed |