Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21851135 | 0.90 | BACE1 (0.39) | PRKDCATMIRAK4IDO1OPRD1 | |
| SCHEMBL21851038 | 0.90 | MCL1 (0.41) | PRKDCATMTSHRHTTPIK3CA | |
| SCHEMBL21851076 | 0.89 | BACE1 (0.43) | PRKDCATMTSHRHTTRXFP1 | |
| SCHEMBL21851072 | 0.86 | ALDH1A1 (0.40) | HTTALDH1A1BACE1 | |
| SCHEMBL30866560 | 0.85 | CASP3 (0.41) | PRKDCATMTSHRHTTALDH1A1 | |
| SCHEMBL21494494 | 0.85 | CASP3 (0.41) | PRKDCATMTSHRHTTALDH1A1 | |
| SCHEMBL21851207 | 0.83 | ATM (0.47) | PRKDCATMPIK3CAMTORATR | |
| SCHEMBL21512757 | 0.83 | PRKDC (0.44) | PRKDCATMTSHRHTTALDH1A1 | |
| SCHEMBL21512642 | 0.83 | PRKDC (0.46) | PRKDCATMTSHRHTTALDH1A1 | |
| SCHEMBL29969126 | 0.83 | PRKDC (0.44) | PRKDCATMTSHRHTTALDH1A1 |
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-3845532-B1 | QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC (CN) | 2022-12-21 | — | — | EP | disclosed |
| EP-3845532-A1 | QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2021-07-07 | — | — | EP | disclosed |
| WO-2020063855-A1 | QUINOLINO-PYRROLIDIN-2-ONE DERIVATIVE AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |