Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.56 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL770667 | 0.85 | SMPD3 (0.66) | SMPD3TLR9TLR8TLR7NISCH | |
| SCHEMBL27303149 | 0.85 | VCP (0.49) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL8541773 | 0.83 | SMPD3 (0.58) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL27803371 | 0.81 | SMPD3 (0.65) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL6002654 | 0.81 | SMPD3 (0.56) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL27963202 | 0.81 | SMPD3 (0.56) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL5803059 | 0.78 | SMPD3 (0.69) | SMPD3TLR9TLR8TLR7NISCH | |
| SCHEMBL12714764 | 0.78 | SMPD3 (0.60) | SMPD3TLR9TLR8TLR7MAPT | |
| SCHEMBL7056673 | 0.78 | SMPD3 (0.52) | SMPD3TLR9TLR8TLR7NISCH | |
| SCHEMBL7832944 | 0.76 | NISCH (0.58) | SMPD3TLR9TLR8TLR7NISCH |
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-1204642-B1 | FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-10-13 | — | — | EP | disclosed |
| US-6939882-B1 | Fungicides | AVENTIS CROPSCIENCES GMBH (DE) | 2005-09-06 | — | — | US | disclosed |
| EP-1204642-A1 | FUNGICIDES | Aventis CropScience GmbH (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001012604-A1 | FUNGICIDES | AVENTIS CROPSCIENCE GMBH (DE) | 2001-02-22 | — | — | WO | disclosed |