Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4656296 | 0.83 | ACACB (0.45) | DAOSLC6A4ALDH1A1TSHRMAPT | |
| SCHEMBL4714751 | 0.77 | PDE4A (0.46) | DAOSLC6A4GPR84SLC6A3ALDH1A1 | |
| SCHEMBL19043747 | 0.77 | SLC6A4 (0.46) | DAOSLC6A4GPR84SLC6A3ALDH1A1 | |
| SCHEMBL6820492 | 0.77 | TAAR1 (0.50) | DAOMEN1KMT2A | |
| Iodide SCHEMBL30828284 | 0.75 | ALDH1A1 (0.42) | DAOSLC6A4ALDH1A1TSHRMAPT | |
| SCHEMBL6826508 | 0.75 | ACACB (0.45) | SLC6A4SLC6A3ALDH1A1TSHRMAPT | |
| SCHEMBL28658281 | 0.75 | SLC6A4 (0.44) | DAOSLC6A4GPR84SLC6A3ALDH1A1 | |
| Acetonitrile SCHEMBL28224520 | 0.73 | SLC6A4 (0.43) | DAOSLC6A4GPR84SLC6A3ALDH1A1 | |
| SCHEMBL549086 | 0.73 | ALDH1A1 (0.44) | DAOSLC6A4ALDH1A1TSHRMAPT | |
| Iodide SCHEMBL29202228 | 0.73 | TAAR1 (0.53) | DAO |
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-1385817-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| EP-1385377-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090320-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |
| WO-2002089579-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |