Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL30155042 | 1.00 | TRPA1 (0.31) | TRPA1TRPM5ALDH1A1 | |
| SCHEMBL29900112 | 0.71 | BACE1 (0.38) | ALDH1A1 | |
| SCHEMBL14438009 | 0.71 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL25417503 | 0.70 | CYP1A2 (0.41) | TRPA1TRPM5ALDH1A1 | |
| SCHEMBL20042488 | 0.67 | DAO (0.36) | — | |
| SCHEMBL686527 | 0.63 | CYP2A6 (0.48) | — | |
| SCHEMBL5336284 | 0.62 | CYP2A6 (0.41) | ALDH1A1 | |
| SCHEMBL15220266 | 0.59 | S100A4 (0.32) | — | |
| SCHEMBL3708981 | 0.59 | ICAM1 (0.56) | — | |
| SCHEMBL1324800 | 0.58 | ALDH1A1 (0.42) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013731-A | Bactericides | ICI PHARMA (FR) | 1991-05-07 | — | — | US | disclosed |