Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 5/20 | 0.33 |
| ▸ | RICTOR | Q6R327 | 4/20 | 0.33 |
| ▸ | MAPKAP1 | Q9BPZ7 | 4/20 | 0.33 |
| ▸ | MLST8 | Q9BVC4 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29970121 | 0.84 | PRKDC (0.41) | IRAK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL21494350 | 0.84 | PRKDC (0.41) | IRAK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL21851220 | 0.83 | IRAK4 (0.42) | IRAK4MTORRICTORMAPKAP1MLST8 | |
| SCHEMBL21851214 | 0.82 | ATM (0.37) | IRAK4MTORRICTORMAPKAP1MLST8 | |
| SCHEMBL21851146 | 0.76 | IRAK4 (0.39) | IRAK4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL30866560 | 0.75 | CASP3 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21494494 | 0.75 | CASP3 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21513331 | 0.74 | TNKS (0.34) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29968895 | 0.74 | TNKS (0.34) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21513210 | 0.73 | CHEK1 (0.42) | IRAK4GABRA1GABRG2GABRB3GABRA5 |
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 |