Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20123676 | 0.93 | HSD17B3 (0.46) | HSD17B3AURKACHEK2CDK1PIM1 | |
| SCHEMBL20123579 | 0.88 | HSD17B3 (0.47) | HSD17B3AURKACHEK2CDK1PIM1 | |
| SCHEMBL20014486 | 0.88 | HSD17B3 (0.50) | HSD17B3AURKACHEK2CDK1PIM1 | |
| SCHEMBL3772410 | 0.81 | HSD17B3 (0.43) | HSD17B3NOTUMMAPTALDH1A1GAA | |
| SCHEMBL20123505 | 0.80 | AURKA (0.44) | HSD17B3AURKACHEK2CDK1PIM1 | |
| SCHEMBL20014745 | 0.79 | HSD17B3 (0.43) | HSD17B3CA1CA2CA4CA6 | |
| SCHEMBL20014548 | 0.79 | HPGD (0.45) | HSD17B3CA1CA2CA4CA6 | |
| SCHEMBL6907006 | 0.79 | CA1 (0.44) | CA1CA2CA4CA6MAPT | |
| SCHEMBL20014459 | 0.79 | HSD17B3 (0.46) | HSD17B3CA1CA2CA4CA6 | |
| SCHEMBL20123665 | 0.77 | RYR2 (0.34) | HSD17B3AURKACHEK2CDK1PIM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3753936-A1 | PYRIDONE DERIVATIVE, COMPOSITION THEREOF AND APPLICATION THEREOF AS ANTI-INFLUENZA DRUG | Jiangxi Caishi Pharmaceutical Technology Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |
| EP-3428170-A1 | ANTI-INFLUENZA POLYCYCLIC PYRIDONE DERIVATIVE AND PRODRUG THEREOF | SHIONOGI & CO., LTD (JP) | 2019-01-16 | — | — | EP | disclosed |
| EP-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |