Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 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 | |
|---|---|---|---|---|
| SCHEMBL4742120 | 0.92 | THRB (0.43) | THRBCASP3ADRB2NCF1 | |
| SCHEMBL4742118 | 0.89 | MET (0.38) | THRBALDH1A1 | |
| SCHEMBL4743039 | 0.85 | USP2 (0.35) | CASP3ALDH1A1 | |
| SCHEMBL4739980 | 0.84 | THRB (0.44) | THRBCASP3ALDH1A1CCNCCDK8 | |
| Trifluoroacetic Acid SCHEMBL4742140 | 0.74 | THRB (0.43) | THRBCASP3ALDH1A1 | |
| SCHEMBL4785468 | 0.74 | THRB (0.45) | THRB | |
| Trifluoroacetic Acid SCHEMBL4785493 | 0.72 | THRB (0.45) | THRBCASP3ALDH1A1 | |
| SCHEMBL4743062 | 0.72 | THRB (0.47) | THRBCASP3ALDH1A1 | |
| SCHEMBL4739351 | 0.72 | MAPK1 (0.35) | ALDH1A1WDR5 | |
| SCHEMBL4741648 | 0.71 | THRB (0.43) | THRBCASP3ALDH1A1CCNCCDK8 |
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 |