Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29497468 | 0.87 | NPC1 (0.51) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL2303193 | 0.87 | NPC1 (0.51) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL27927157 | 0.83 | LMNA (0.47) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL30181676 | 0.83 | LMNA (0.47) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL27983764 | 0.81 | CHRNB2 (0.50) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL26146529 | 0.80 | LMNA (0.44) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL2401039 | 0.79 | LMNA (0.43) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL2732089 | 0.78 | LMNA (0.50) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL29583666 | 0.78 | LMNA (0.50) | LMNATDP1CYP11B1CYP11B2CHRNB2 | |
| SCHEMBL4459718 | 0.75 | — | — |
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 |