Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.48 |
| ▸ | ADH1B | P00325 | 4/20 | 0.48 |
| ▸ | ADH1A | P07327 | 4/20 | 0.48 |
| ▸ | ADH7 | P40394 | 4/20 | 0.48 |
| ▸ | ADH1C | P00326 | 3/20 | 0.48 |
| ▸ | ADH4 | P08319 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674472 | 0.93 | — | — | |
| SCHEMBL10711568 | 0.85 | ADH1B (0.31) | ADH1BADH1AADH1C | |
| SCHEMBL14748132 | 0.83 | — | — | |
| SCHEMBL7675997 | 0.83 | — | — | |
| SCHEMBL15290820 | 0.78 | KDM1A (0.34) | — | |
| SCHEMBL4681818 | 0.77 | — | — | |
| SCHEMBL9626531 | 0.76 | EPHX1 (0.46) | EPHX1ADH1BADH1AADH7ADH1C | |
| Hydrochloric Acid SCHEMBL22771686 | 0.74 | ALDH1A1 (0.37) | EPHX1ADH1BADH1AADH7ADH1C | |
| Hydrochloric Acid SCHEMBL22771685 | 0.74 | ALDH1A1 (0.37) | EPHX1ADH1BADH1AADH7ADH1C | |
| SCHEMBL28084862 | 0.74 | ADH1B (0.45) | EPHX1ADH1BADH1AADH7ADH1C |
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-2019141179-A1 | PYRIDONE DERIVATIVE, COMPOSITION THEREOF AND APPLICATION THEREOF AS ANTI-INFLUENZA DRUG | 银杏树药业(苏州)有限公司 | 2019-07-25 | — | — | WO | disclosed |