Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743041 | 0.88 | THRB (0.55) | THRBALDH1A1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL4743443 | 0.86 | THRB (0.53) | THRBALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL4743046 | 0.84 | THRB (0.78) | THRBMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL4739993 | 0.80 | THRB (0.54) | THRBSMN1; SMN2MAPT | |
| Trifluoroacetic Acid SCHEMBL4785493 | 0.79 | THRB (0.45) | THRBMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL30592902 | 0.75 | ALDH1A1 (0.46) | THRBMEN1KMT2AALDH1A1USP2 | |
| SCHEMBL3887756 | 0.75 | ALDH1A1 (0.46) | THRBMEN1KMT2AALDH1A1USP2 | |
| SCHEMBL4785503 | 0.75 | THRB (0.45) | THRBALDH1A1SMN1; SMN2USP2TP53 | |
| SCHEMBL4743062 | 0.75 | THRB (0.47) | THRBALDH1A1SMN1; SMN2USP2TP53 | |
| SCHEMBL3822813 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2FKBP1AHSD17B10GAA |
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 |