Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10714605 | 0.80 | TRPA1 (0.32) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11212300 | 0.74 | — | — | |
| SCHEMBL11031973 | 0.71 | TRPA1 (0.32) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL10705088 | 0.70 | — | — | |
| SCHEMBL949935 | 0.69 | — | — | |
| SCHEMBL631065 | 0.65 | TRPA1 (0.35) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11666761 | 0.65 | TRPA1 (0.35) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11591515 | 0.64 | CYP3A4 (0.34) | ALDH1A1CYP3A4 | |
| SCHEMBL7313571 | 0.64 | — | — | |
| SCHEMBL9654239 | 0.64 | — | — |
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-4529721-A | Human and veterinary bactericide | SHIONOGI & CO., LTD. (JP) | 1985-07-16 | — | — | US | disclosed |
| EP-0107928-A1 | Vinylthioacetamido oxacephalosporin derivatives, and intermediates therefor, their preparation, formulations containing the same and their antibacterial use | SHIONOGI & CO., LTD. (JP) | 1984-05-09 | — | — | EP | disclosed |