Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | CTSC | P53634 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 5/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL31441732 | 0.81 | SLC7A5 (0.38) | SLC7A5CHRNB2CHRNA4TRPA1HDAC3 | |
| SCHEMBL27799385 | 0.81 | CTSC (0.37) | SLC7A5TRPA1CTSCSCN9AHDAC3 | |
| SCHEMBL10681244 | 0.80 | LMNA (0.35) | CHRNB2CHRNA4SCN9AALDH1A1 | |
| SCHEMBL28601708 | 0.77 | ALDH1A1 (0.44) | CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL25353609 | 0.74 | SLC7A5 (0.41) | SLC7A5TRPA1CTSCSCN9AHDAC3 | |
| SCHEMBL14720949 | 0.73 | CHRNB2 (0.45) | CHRNB2CHRNA4SCN9A | |
| SCHEMBL5942319 | 0.72 | CHRNB2 (0.41) | CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL9583581 | 0.72 | CHRNB2 (0.38) | CHRNB2CHRNA4SCN9A | |
| SCHEMBL7928085 | 0.72 | ALDH1A1 (0.39) | ALDH1A1SCN5A | |
| SCHEMBL1024313 | 0.71 | TRPA1 (0.33) | SLC7A5TRPA1CTSCSCN9AMPI |
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 |