Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17804225 | 0.75 | CLK1 (0.40) | ALDH1A1GRM5CLK1GAATSHR | |
| SCHEMBL28450086 | 0.73 | ALDH1A1 (0.44) | ALDH1A1GRM5GAACYP3A4TSHR | |
| SCHEMBL3415515 | 0.72 | GRM5 (0.38) | ALDH1A1GRM5CLK1TSHRSMN1; SMN2 | |
| SCHEMBL30031554 | 0.71 | — | — | |
| SCHEMBL625420 | 0.71 | — | — | |
| SCHEMBL57998 | 0.69 | NPSR1 (0.44) | ALDH1A1GRM5CLK1GAATSHR | |
| SCHEMBL1400663 | 0.68 | CLK1 (0.40) | ALDH1A1GRM5CLK1TSHRHPGD | |
| SCHEMBL550049 | 0.68 | CYP3A4 (0.39) | ALDH1A1GRM5GAACYP3A4TSHR | |
| SCHEMBL12987971 | 0.67 | ALDH1A1 (0.39) | ALDH1A1GRM5CLK1TSHRSMN1; SMN2 | |
| SCHEMBL5658652 | 0.67 | CLK1 (0.34) | ALDH1A1GRM5CLK1HPGD |
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-2265118-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | Bayer CropScience AG (DE) | 2010-12-29 | — | — | EP | claimed |
| WO-2009115557-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2009-09-24 | — | — | WO | claimed |
| EP-2265118-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | Bayer CropScience AG (DE) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009115557-A2 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2009-09-24 | — | — | WO | disclosed |