Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | SRPK2 | P78362 | 1/20 | 0.32 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.32 |
| ▸ | SRPK3 | Q9UPE1 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL4739980 | 0.86 | THRB (0.44) | THRBMAPTSMN1; SMN2ALDH1A1CCNC | |
| SCHEMBL4785503 | 0.79 | THRB (0.45) | THRBMAPTSMN1; SMN2ALDH1A1CASP3 | |
| SCHEMBL4742145 | 0.79 | THRB (0.43) | THRBMMP1MMP9MMP13PDGFRB | |
| SCHEMBL4742120 | 0.79 | THRB (0.43) | THRBMMP1MMP9MMP13PDGFRB | |
| SCHEMBL4741630 | 0.75 | THRB (0.46) | THRBMAPTSMN1; SMN2CCNCCDK8 | |
| SCHEMBL4742128 | 0.74 | THRB (0.45) | THRBMAPTSMN1; SMN2CCNCCDK8 | |
| SCHEMBL4743041 | 0.73 | THRB (0.55) | THRBMAPTSMN1; SMN2ALDH1A1CCNC | |
| SCHEMBL4742554 | 0.69 | TP53 (0.36) | MAPTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL4742140 | 0.68 | THRB (0.43) | THRBSMN1; SMN2ALDH1A1MMP1MMP9 | |
| Trifluoroacetic Acid SCHEMBL4785493 | 0.68 | THRB (0.45) | THRBMAPTSMN1; SMN2ALDH1A1MEN1 |
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 1 patent. 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 | disclosed |