Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.34 |
| ▸ | TSHR | P16473 | 5/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6869025 | 0.86 | CHRM4 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6869698 | 0.84 | CYP2D6 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6861858 | 0.83 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6865769 | 0.82 | CHRM4 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6869763 | 0.80 | SMN1; SMN2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6865865 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6861598 | 0.78 | METAP2 (0.30) | — | |
| SCHEMBL6867952 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL6865853 | 0.75 | DYRK3 (0.30) | — | |
| SCHEMBL6865524 | 0.73 | NPC1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091957-B1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | ALTANA PHARMA AG (DE) | 2004-12-15 | — | — | EP | disclosed |
| US-6395732-B1 | BACTERICIDES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2002-05-28 | — | — | US | disclosed |
| EP-1091957-A1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-04-18 | — | — | EP | disclosed |
| WO-1999061439-A1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-12-02 | — | — | WO | disclosed |