Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743039 | 0.92 | USP2 (0.35) | TP53USP2MAPK1RECQLHSD17B10 | |
| SCHEMBL4742130 | 0.84 | USP2 (0.45) | TP53USP2MAPK1RECQLHSD17B10 | |
| SCHEMBL4739980 | 0.82 | THRB (0.44) | MAPTCYP8B1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4739351 | 0.82 | MAPK1 (0.35) | TP53USP2MAPK1RECQLHSD17B10 | |
| SCHEMBL4742160 | 0.81 | MEN1 (0.36) | TP53USP2MAPK1RECQLHSD17B10 | |
| SCHEMBL4739340 | 0.77 | THRB (0.40) | ALDH1A1 | |
| SCHEMBL4742120 | 0.75 | THRB (0.43) | CYP8B1 | |
| SCHEMBL4742621 | 0.73 | USP2 (0.45) | TP53USP2MAPK1RECQLHSD17B10 | |
| SCHEMBL4742118 | 0.72 | MET (0.38) | RECQLMAPTLMNAKDM4ENPSR1 | |
| SCHEMBL4741630 | 0.71 | THRB (0.46) | MAPTCYP8B1SMN1; 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 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 |