Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 6/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5201967 | 0.77 | KDM4E (0.46) | — | |
| SCHEMBL111872 | 0.75 | HCAR2 (0.46) | HCAR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21826582 | 0.74 | ASPH (0.39) | KMOEGLN1HCAR2HDAC3HDAC4 | |
| SCHEMBL31125552 | 0.74 | ASPH (0.39) | KMOEGLN1HCAR2HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL5204506 | 0.73 | HCAR2 (0.45) | HCAR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5760445 | 0.73 | HCAR2 (0.45) | HCAR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL20118699 | 0.73 | GRIA1 (0.44) | ALPLKMOGRIA1CACNG8 | |
| Formaldehyde SCHEMBL28038712 | 0.72 | HCAR2 (0.43) | HCAR2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL18189413 | 0.72 | GRIA1 (0.38) | ALPLGRIA1CACNG8 | |
| SCHEMBL6257319 | 0.71 | ITGB1 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350008-A1 | METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES | Bayer CropScience AG (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010040461-A1 | METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES | BAYER CROPSCIENCE AG (DE) | 2010-04-15 | — | — | WO | disclosed |