Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27674640 | 0.78 | — | — | |
| SCHEMBL10511159 | 0.70 | — | — | |
| SCHEMBL25525342 | 0.69 | — | — | |
| SCHEMBL8608609 | 0.64 | — | — | |
| SCHEMBL11045028 | 0.54 | — | — | |
| SCHEMBL18051607 | 0.53 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.51 | — | — | |
| Diallyldisulfide SCHEMBL18687005 | 0.51 | TRPA1 (1.00) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| Diallyl Sulfide SCHEMBL14764035 | 0.51 | ALOX5 (1.00) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| Diallyldisulfide SCHEMBL93944 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4846881-A | AMINO OR THIO DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0284901-A1 | 3,4,6-Trisubstituted 1,2,4-triazin-5(4H)-ones | BAYER AG (DE) | 1988-10-05 | — | — | EP | disclosed |