Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A5 | Q15758 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL31361182 | 0.80 | SLC1A5 (0.38) | SLC1A5KMOPGK1MPLKCNN3 | |
| SCHEMBL2302384 | 0.80 | SLC1A5 (0.38) | SLC1A5KMOPGK1MPLKCNN3 | |
| SCHEMBL30730321 | 0.74 | ALDH1A1 (0.46) | S1PR4 | |
| SCHEMBL18512255 | 0.74 | ALDH1A1 (0.46) | S1PR4 | |
| SCHEMBL18149349 | 0.73 | MEN1 (0.38) | S1PR4GRIN2B | |
| SCHEMBL2300810 | 0.73 | CRHBP (0.37) | NOTUM | |
| SCHEMBL30826985 | 0.73 | SLC1A5 (0.36) | SLC1A5KMOPGK1HCAR1NOTUM | |
| SCHEMBL22028866 | 0.73 | SLC1A5 (0.36) | SLC1A5KMOPGK1HCAR1NOTUM | |
| SCHEMBL19844892 | 0.73 | MBOAT4 (0.40) | SLC1A5KMOPGK1 | |
| SCHEMBL2301019 | 0.72 | KMO (0.45) | KMOEPHX2ALPL |
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 |