Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PLEC | Q15149 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13349613 | 0.76 | MAPT (0.36) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL15202716 | 0.75 | EGFR (0.38) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL16976666 | 0.74 | KDM4E (0.56) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL28235395 | 0.73 | CYP3A4 (0.37) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL6536602 | 0.71 | HCAR3 (0.62) | ALDH1A1MAPTHTTGAATSHR | |
| SCHEMBL6626107 | 0.71 | IDO1 (0.40) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL12723884 | 0.71 | EGFR (0.43) | MAPTKDM4ETSHRRECQLCYP4F2 | |
| SCHEMBL19936552 | 0.70 | CYP3A4 (0.35) | ALDH1A1MAPTHTTKDM4EGAA | |
| SCHEMBL327490 | 0.69 | RECQL (0.34) | TSHRRECQLCYP4F2CYP4A11TYR | |
| SCHEMBL10281647 | 0.69 | CYP4F2 (0.46) | RECQLCYP4F2CYP4A11TYR |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |