Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4742157 | 0.92 | MEN1 (0.36) | MAPTALDH1A1MAPK1KDM4EPKM | |
| Trifluoroacetic Acid SCHEMBL4739344 | 0.91 | SIRT6 (0.36) | MAPTALDH1A1MAPK1CASP3USP2 | |
| SCHEMBL4742574 | 0.90 | DRD2 (0.35) | DRD2DRD3MAPTALDH1A1MAPK1 | |
| SCHEMBL4742160 | 0.82 | MEN1 (0.36) | DRD2DRD3MAPTALDH1A1MAPK1 | |
| SCHEMBL4739351 | 0.82 | MAPK1 (0.35) | MAPTALDH1A1MAPK1KDM4EPKM | |
| SCHEMBL4742618 | 0.80 | USP2 (0.34) | MAPTMAPK1USP2TP53RECQL | |
| SCHEMBL4743406 | 0.78 | MET (0.39) | MAPTALDH1A1MAPK1KDM4EUSP2 | |
| SCHEMBL4786909 | 0.69 | MET (0.39) | MAPTALDH1A1MAPK1KDM4EUSP2 | |
| SCHEMBL4743039 | 0.69 | USP2 (0.35) | MAPTALDH1A1MAPK1KDM4ECASP3 | |
| SCHEMBL4742621 | 0.68 | USP2 (0.45) | MAPTMAPK1KDM4EUSP2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008093940-A1 | QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | YUNGJIN PHARMACEUTICAL CO., LTD. (KR) | 2008-08-07 | — | — | WO | claimed |
| WO-2008093940-A1 | QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | YUNGJIN PHARMACEUTICAL CO., LTD. (KR) | 2008-08-07 | — | — | WO | disclosed |