Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 12/20 | 0.45 |
| ▸ | HTR3A | P46098 | 8/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024968 | 1.00 | GAA (0.48) | GAAKEAP1MAPK1DRD4HTT | |
| SCHEMBL13579960 | 0.84 | HTR1A (0.56) | MAPK1DRD4HTR1AHTR3ADRD2 | |
| SCHEMBL336256 | 0.82 | HTR1A (0.66) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2770878 | 0.82 | ALDH1A1 (0.53) | DRD4HTR1AHTR3ADRD2NPC1 | |
| SCHEMBL24388836 | 0.81 | DRD2 (0.46) | GAAKEAP1MAPK1DRD4HTT | |
| SCHEMBL28539418 | 0.77 | CYP2D6 (0.51) | DRD4HTR1AHTR3ADRD2ADRA1D | |
| SCHEMBL26219177 | 0.77 | MAPK1 (0.70) | GAAKEAP1MAPK1NPC1ALDH1A1 | |
| SCHEMBL6531051 | 0.76 | HTR1A (0.71) | GAAKEAP1MAPK1HTR1AHTR3A | |
| SCHEMBL3428277 | 0.75 | HTR1A (0.70) | KEAP1MAPK1HTR1AHTR3ACYP1A2 | |
| Hydrochloric Acid SCHEMBL3845023 | 0.75 | HTR1A (0.39) | GAADRD4HTR1AHTR3ADRD2 |
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-4093376-A1 | PHARMACEUTICAL COMPOSITIONS AND THEIR USES | BenevolentAI Bio Limited (GB) | 2022-11-30 | — | — | EP | disclosed |