Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 17/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21851076 | 0.89 | BACE1 (0.43) | ALDH1A1HTTBACE1 | |
| SCHEMBL21851209 | 0.86 | PRKDC (0.40) | ALDH1A1HTTBACE1 | |
| SCHEMBL21494494 | 0.85 | CASP3 (0.41) | ALDH1A1HTT | |
| SCHEMBL30866560 | 0.85 | CASP3 (0.41) | ALDH1A1HTT | |
| SCHEMBL21851146 | 0.85 | IRAK4 (0.39) | HTTBACE1 | |
| SCHEMBL21851085 | 0.85 | BACE1 (0.41) | ALDH1A1HTTBACE1 | |
| SCHEMBL21851038 | 0.84 | MCL1 (0.41) | ALDH1A1HTTBACE1 | |
| SCHEMBL21851135 | 0.84 | BACE1 (0.39) | BACE1 | |
| SCHEMBL21512757 | 0.83 | PRKDC (0.44) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL21512642 | 0.83 | PRKDC (0.46) | ALDH1A1HTTSMN1; SMN2 |
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 |