Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ATP1A1 | P05023 | 4/20 | 0.44 |
| ▸ | ATP1B1 | P05026 | 4/20 | 0.44 |
| ▸ | ATP1A3 | P13637 | 4/20 | 0.44 |
| ▸ | ATP1B2 | P14415 | 4/20 | 0.44 |
| ▸ | ATP1A2 | P50993 | 4/20 | 0.44 |
| ▸ | ATP1B3 | P54709 | 4/20 | 0.44 |
| ▸ | FXYD2 | P54710 | 4/20 | 0.44 |
| ▸ | ATP1A4 | Q13733 | 4/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22270677 | 0.86 | ATP1A1 (0.43) | ALDH1A1HPGDATP1A1ATP1B1ATP1A3 | |
| SCHEMBL22270670 | 0.85 | DYRK1A (0.43) | LDHAMAPT | |
| SCHEMBL18448954 | 0.84 | LDHA (0.48) | ALDH1A1HPGDATP1A1ATP1B1ATP1A3 | |
| SCHEMBL18484486 | 0.84 | LDHA (0.48) | ALDH1A1HPGDATP1A1ATP1B1ATP1A3 | |
| SCHEMBL19205755 | 0.84 | LDHA (0.48) | ALDH1A1HPGDATP1A1ATP1B1ATP1A3 | |
| SCHEMBL22271050 | 0.74 | RORC (0.40) | MAPK14 | |
| SCHEMBL22271053 | 0.73 | HPGD (0.46) | ALDH1A1HPGDMEN1MAPTHTT | |
| SCHEMBL22270657 | 0.73 | SOS1 (0.39) | EGFRMAPK14 | |
| SCHEMBL18484149 | 0.72 | EGFR (0.45) | ALDH1A1HPGDLDHALDHBEGFR | |
| SCHEMBL18484150 | 0.72 | EGFR (0.45) | ALDH1A1HPGDLDHALDHBEGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3686187-A1 | PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-07-29 | — | — | EP | disclosed |