Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.30 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27770259 | 0.73 | ALDH1A1 (0.32) | UGT2B7ALDH1A1 | |
| SCHEMBL738593 | 0.69 | ALDH1A1 (0.44) | TRPM4NQO2ALDH1A1HPGD | |
| SCHEMBL29937403 | 0.68 | CYP1A2 (0.31) | ALDH1A1 | |
| Benzene SCHEMBL28903867 | 0.67 | ALDH1A1 (0.45) | TRPM4NQO2PTPN22ALDH1A1HPGD | |
| SCHEMBL20699536 | 0.66 | ALDH1A1 (0.39) | TRPM4NQO2PTPN22ALDH1A1HPGD | |
| SCHEMBL27615117 | 0.65 | CYP2A6 (0.42) | PTPN22ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL27779935 | 0.65 | NCF1 (0.33) | NQO2POLBALDH1A1HPGD | |
| SCHEMBL26259237 | 0.64 | ALDH1A1 (0.43) | ALDH1A1HPGD | |
| SCHEMBL27676100 | 0.64 | ALDH1A1 (0.38) | POLBUGT2B7ALDH1A1HPGD | |
| SCHEMBL30393017 | 0.63 | PTPN22 (0.54) | POLBPTPN22ALDH1A1HPGDERN1 |
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-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |