Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.48 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 6/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18763021 | 1.00 | GSTO1 (0.48) | GSTO1SUCNR1GRM2PDK1NR1H4 | |
| SCHEMBL21168598 | 0.88 | CYP3A4 (0.46) | SUCNR1GRM2PDK1NR1H4TP53 | |
| SCHEMBL18778620 | 0.86 | GSTO1 (0.51) | GSTO1GRM2TP53QPCTMAPT | |
| SCHEMBL6728076 | 0.84 | CYP3A4 (0.49) | SUCNR1GRM2PDK1NR1H4TP53 | |
| SCHEMBL22866462 | 0.80 | GRM2 (0.43) | SUCNR1GRM2PDK1CETPMAPT | |
| SCHEMBL6739000 | 0.78 | GRM2 (0.56) | GRM2GAA | |
| SCHEMBL6736418 | 0.78 | GRM2 (0.53) | GRM2 | |
| SCHEMBL20857053 | 0.78 | BCL2A1 (0.43) | MAPT | |
| SCHEMBL6734194 | 0.77 | GRM2 (0.69) | GRM2 | |
| SCHEMBL18763043 | 0.77 | GSTO1 (0.50) | GSTO1PDK1NR1H4GAATSHR |
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-4045050-A1 | AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS | The Scripps Research Institute (US) | 2022-08-24 | — | — | EP | disclosed |