Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28453298 | 0.81 | S100A4 (0.57) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL28731693 | 0.75 | S100A4 (0.41) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL29380433 | 0.72 | S100A4 (0.54) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL28542905 | 0.72 | S100A4 (0.48) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL29041173 | 0.72 | PARP1 (0.41) | PARP10PARP1MAPK1PNMT | |
| SCHEMBL28089783 | 0.71 | S100A4 (0.38) | S100A4PARP10ALDH1A1PARP11CYP19A1 | |
| SCHEMBL29145893 | 0.70 | PTPRC (0.56) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL29145887 | 0.70 | S100A4 (0.46) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL30208203 | 0.70 | PTPRC (0.56) | S100A4HSP90AA1TLR9PTPRCTDP1 | |
| SCHEMBL22097362 | 0.69 | CHRNB4 (0.49) | S100A4HSP90AA1TLR9PTPRCALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |