Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 2/20 | 0.31 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL20642466 | 0.80 | PGK1 (0.36) | PGK1ENPP1KMOSLC1A5 | |
| SCHEMBL31493106 | 0.76 | KDM4E (0.36) | PGK1NOTUMENPP1KMOSLC1A5 | |
| SCHEMBL30900398 | 0.76 | PGK1 (0.36) | PGK1SCN9ANOTUMENPP1KMO | |
| SCHEMBL2303690 | 0.76 | PGK1 (0.36) | PGK1SCN9ANOTUMENPP1KMO | |
| SCHEMBL18018416 | 0.76 | PGK1 (0.39) | PGK1SCN9AENPP1KMOCHRM5 | |
| SCHEMBL28280590 | 0.73 | CNR2 (0.36) | PGK1SCN9ANOTUMENPP1CHRM5 | |
| SCHEMBL29411256 | 0.72 | NOTUM (0.37) | PGK1NOTUMENPP1KMOCHRM5 | |
| SCHEMBL17979411 | 0.72 | KMO (0.32) | PGK1NOTUMENPP1KMOCHRM5 | |
| SCHEMBL17979316 | 0.72 | NOTUM (0.37) | PGK1NOTUMENPP1KMOCHRM5 | |
| SCHEMBL29411191 | 0.72 | KMO (0.32) | PGK1NOTUMENPP1KMOCHRM5 |
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 |