Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30518871 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518860 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518857 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518872 | 0.80 | ALDH1A1 (0.66) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518877 | 0.80 | ALDH1A1 (0.91) | ALDH1A1HPGDMAPTTNKS2LMNA | |
| SCHEMBL30518855 | 0.80 | ALDH1A1 (0.66) | ALDH1A1HPGDMAPTTNKS2LMNA | |
| SCHEMBL30518865 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518854 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTTNKS2TP53 | |
| SCHEMBL30518866 | 0.72 | ALDH1A1 (0.51) | ALDH1A1HPGDMAPTTNKS2LMNA | |
| SCHEMBL30518862 | 0.70 | ALDH1A1 (0.63) | ALDH1A1HPGDMAPTTNKS2TP53 |
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-110840897-B | Metal beta-lactamase inhibitors | 河北旺发生物科技有限公司 | 2023-08-08 | — | — | CN | disclosed |