Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL2303698 | 0.84 | KMT2A (0.39) | KMT2ACHRNB2CHRNA4GRM5CHRNB1 | |
| SCHEMBL13019890 | 0.81 | KMT2A (0.40) | KMT2ACHRNB2CHRNA4GRM5CHRNB1 | |
| SCHEMBL2304950 | 0.79 | KMT2A (0.48) | KMT2AMAPTMEN1 | |
| SCHEMBL16853587 | 0.78 | KMT2A (0.38) | KMT2ACHRNB2CHRNA4GRM5CHRNB1 | |
| SCHEMBL30968901 | 0.77 | CHRNA3 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL2304175 | 0.77 | CHRNA3 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL435691 | 0.73 | — | — | |
| SCHEMBL6381688 | 0.72 | KMT2A (0.42) | KMT2ACHRNB2CHRNA4GRM5CHRNB1 | |
| SCHEMBL3374593 | 0.72 | PPARA (0.54) | KMT2AMAPTMAP4K4MEN1 | |
| SCHEMBL3866624 | 0.72 | KMT2A (0.38) | KMT2ACHRNB2CHRNA4GRM5CHRNB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350008-B1 | METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES | BAYER CROPSCIENCE AG (DE) | 2012-09-05 | — | — | EP | disclosed |
| 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 |