Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL30866560 | 0.93 | CASP3 (0.41) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21494494 | 0.93 | CASP3 (0.41) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21512642 | 0.89 | PRKDC (0.46) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL29969126 | 0.89 | PRKDC (0.44) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21512757 | 0.89 | PRKDC (0.44) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21851058 | 0.88 | PRKDC (0.40) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL29969513 | 0.87 | PRKDC (0.43) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21494313 | 0.87 | PRKDC (0.43) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21851176 | 0.86 | PRKDC (0.39) | CASP3PRKDCATMSLC22A12HTT | |
| SCHEMBL21851085 | 0.86 | BACE1 (0.41) | CASP3PRKDCATMSLC22A12HTT |
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 |