Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL25756956 | 0.88 | HDAC1 (0.41) | AR | |
| SCHEMBL25756941 | 0.72 | ALDH1A1 (0.42) | GAAPOLBARALDH1A1CYP1A2 | |
| SCHEMBL1408522 | 0.70 | GAA (0.43) | GAAGLAPOLBTSHRAR | |
| SCHEMBL25756864 | 0.69 | ALDH1A1 (0.42) | GAAGLAPOLBARKDM4E | |
| SCHEMBL25756855 | 0.68 | ALDH1A1 (0.53) | GAAPOLBARKDM4EALDH1A1 | |
| SCHEMBL25756934 | 0.68 | ALDH1A1 (0.53) | GAAPOLBARKDM4EALDH1A1 | |
| SCHEMBL2215302 | 0.67 | KDM4E (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL17274316 | 0.65 | CYP3A4 (0.58) | TSHRARKDM4EALDH1A1CYP1A2 | |
| SCHEMBL5495682 | 0.64 | MAPT (0.50) | GAAGLAPOLBTSHRAR | |
| SCHEMBL31095607 | 0.64 | MAPT (0.50) | GAAGLAPOLBTSHRAR |
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-2023119334-A1 | ANTI-CANCER COMPOUND BY COMBINING PONATINIB MOLECULE WITH HDAC INHIBITOR MOLECULE USING A VARIABLE LENGTH LINKER | AMRITA VISHWA VIDYAPEETHAM (IN) | 2023-06-29 | — | — | WO | disclosed |