Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13612595 | 0.84 | L3MBTL1 (0.35) | KDM4EDPP4 | |
| SCHEMBL16750061 | 0.79 | TDP1 (0.37) | TDP1KDM4E | |
| SCHEMBL14572722 | 0.79 | TDP1 (0.37) | TDP1KDM4E | |
| SCHEMBL24253077 | 0.79 | TDP1 (0.37) | TDP1KDM4E | |
| SCHEMBL26207916 | 0.79 | TDP1 (0.37) | TDP1KDM4E | |
| SCHEMBL13101422 | 0.77 | ACE (0.37) | TDP1KDM4EALDH1A1 | |
| SCHEMBL8895914 | 0.71 | GBA1 (0.38) | ALDH1A1 | |
| SCHEMBL141885 | 0.71 | GBA1 (0.38) | ALDH1A1 | |
| SCHEMBL13101915 | 0.70 | ACE (0.45) | KDM4E | |
| SCHEMBL1955287 | 0.70 | ACE (0.45) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7629339-B2 | inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-12-08 | — | — | US | disclosed |