Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058328 | 0.95 | NPC1 (0.35) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17057964 | 0.94 | NPC1 (0.36) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17057892 | 0.94 | ALDH1A1 (0.34) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17058333 | 0.92 | POLB (0.38) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17058046 | 0.92 | NPC1 (0.38) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17058077 | 0.92 | NPC1 (0.38) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17057810 | 0.85 | SLC2A1 (0.33) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17057868 | 0.85 | POLB (0.38) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17058480 | 0.83 | POLB (0.38) | NPSR1POLBCYP3A4CYP2C19PPARG | |
| SCHEMBL17058138 | 0.83 | POLB (0.41) | NPSR1POLBCYP3A4CYP2C19PPARG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |