Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 6/20 | 0.34 |
| ▸ | CYP8B1 | Q9UNU6 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | CASP6 | P55212 | 2/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | CCRL2 | O00421 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL4785493 | 0.90 | THRB (0.45) | THRBCASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL4742145 | 0.88 | THRB (0.43) | THRBCYP8B1MMP1MMP9MMP13 | |
| SCHEMBL4785468 | 0.87 | THRB (0.45) | THRBCYP8B1MMP1MMP9MMP13 | |
| SCHEMBL4742120 | 0.80 | THRB (0.43) | THRBCASP3CYP8B1MMP1MMP9 | |
| SCHEMBL4739980 | 0.80 | THRB (0.44) | THRBCASP3CYP8B1MMP1MMP9 | |
| SCHEMBL4785503 | 0.79 | THRB (0.45) | THRBCASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL4743443 | 0.79 | THRB (0.53) | THRBCYP8B1DPP4SCN10AALDH1A1 | |
| SCHEMBL4741630 | 0.78 | THRB (0.46) | THRBCASP3CYP8B1MMP1MMP9 | |
| SCHEMBL4743062 | 0.77 | THRB (0.47) | THRBCASP3CASP6CASP8ALDH1A1 | |
| SCHEMBL4785519 | 0.76 | THRB (0.44) | THRBCYP8B1MMP1MMP9MMP13 |
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 |