Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | PTPRA | P18433 | 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 | |
|---|---|---|---|---|
| SCHEMBL11721070 | 0.71 | SMN1; SMN2 (0.41) | ALDH1A1HPGDMAPTRECQLHTT | |
| SCHEMBL15931881 | 0.68 | ALDH1A1 (0.37) | ALDH1A1HPGDMAPTRECQLNPC1 | |
| SCHEMBL5789402 | 0.68 | ALDH1A1 (0.35) | ALDH1A1HPGDMAPTRECQLHTT | |
| SCHEMBL313667 | 0.66 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL17288892 | 0.65 | MAPT (0.41) | ALDH1A1MAPTHTTSMN1; SMN2NPC1 | |
| SCHEMBL1810162 | 0.65 | SMN1; SMN2 (0.45) | ALDH1A1HPGDMAPTRECQLHTT | |
| SCHEMBL5788730 | 0.64 | SMN1; SMN2 (0.41) | ALDH1A1HPGDMAPTRECQLHTT | |
| SCHEMBL17288833 | 0.64 | ALDH1A1 (0.38) | ALDH1A1HPGDMAPTRECQLHTT | |
| SCHEMBL14198667 | 0.63 | SMN1; SMN2 (0.44) | ALDH1A1HPGDMAPTRECQLSMN1; SMN2 | |
| SCHEMBL20780860 | 0.63 | SMN1; SMN2 (0.44) | ALDH1A1HPGDMAPTRECQLSMN1; SMN2 |
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 |