Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | HPD | P32754 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20945311 | 0.95 | GABRA1 (0.43) | GABRA1GABRG2GABRB3GABRA3HPD | |
| SCHEMBL20945173 | 0.85 | ALDH1A1 (0.46) | GABRA1GABRG2GABRB3GABRA3HPD | |
| SCHEMBL20945304 | 0.81 | ALDH1A1 (0.46) | GABRA1GABRG2GABRB3GABRA3HPD | |
| SCHEMBL20945293 | 0.79 | TSHR (0.61) | GABRA1GABRG2GABRB3GABRA3CCNA2 | |
| SCHEMBL20945306 | 0.77 | AR (0.47) | GABRA1GABRG2GABRB3GABRA3MRGPRX4 | |
| SCHEMBL20945309 | 0.73 | AR (0.47) | GABRA1GABRG2GABRB3GABRA3MRGPRX4 | |
| SCHEMBL20945265 | 0.72 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRA3CCNA2 | |
| SCHEMBL17826958 | 0.71 | AURKA (0.48) | HPDMRGPRX4AURKATPX2EPHX2 | |
| SCHEMBL219654 | 0.71 | EPHX2 (0.68) | MRGPRX4AURKATPX2EPHX2FAAH | |
| SCHEMBL20945090 | 0.71 | GABRA1 (0.45) | GABRA1GABRG2GABRB3GABRA3CCNA2 |
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-109415345-B | Pyridazinone-based broad-spectrum anti-influenza inhibitors | 豪夫迈·罗氏有限公司 | 2022-01-11 | — | — | CN | disclosed |