Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CDH1 | P12830 | 1/20 | 0.30 |
| ▸ | CTNNB1 | P35222 | 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 | |
|---|---|---|---|---|
| SCHEMBL3763793 | 0.84 | ALDH1A1 (0.38) | ALDH1A1HPGDMAPTMAPK1MEN1 | |
| SCHEMBL3760772 | 0.75 | EGFR (0.30) | EGFR | |
| SCHEMBL1809204 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HPGDEGFRHTTMAPK1 | |
| Hydrochloric Acid SCHEMBL9315107 | 0.71 | ALDH1A1 (0.49) | ALDH1A1HPGDEGFRHTTMAPK1 | |
| SCHEMBL1807534 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTRECQLEGFR | |
| SCHEMBL24710097 | 0.70 | ALDH1A1 (0.42) | ALDH1A1HPGDMAPTRECQLEGFR | |
| SCHEMBL20359609 | 0.69 | ALDH1A1 (0.39) | ALDH1A1HPGDMAPTRECQLPTPN1 | |
| SCHEMBL15931881 | 0.69 | ALDH1A1 (0.37) | ALDH1A1HPGDMAPTRECQLPTPN1 | |
| SCHEMBL14067391 | 0.68 | CYP1A2 (0.42) | ALDH1A1MAPTMAPK1MEN1NPC1 | |
| SCHEMBL5789408 | 0.68 | ALDH1A1 (0.34) | ALDH1A1HPGDMAPTRECQLPTPN1 |
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-1704143-A1 | MALONONITRILE COMPOUND AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068432-A1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-28 | — | — | WO | disclosed |