Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19645 | 0.90 | TRPA1 (0.45) | TRPA1TDP1TSHR | |
| SCHEMBL17072023 | 0.90 | TRPA1 (0.45) | TRPA1TDP1TSHR | |
| SCHEMBL20721697 | 0.90 | TRPA1 (0.45) | TRPA1TDP1TSHR | |
| Isobutanol SCHEMBL6152369 | 0.88 | TSHR (0.45) | TRPA1TDP1TSHR | |
| SCHEMBL10818718 | 0.87 | TRPA1 (0.43) | TRPA1TDP1TSHR | |
| Glycerin SCHEMBL5175831 | 0.86 | LMNA (0.43) | TRPA1TDP1TSHR | |
| SCHEMBL15467886 | 0.86 | TRPA1 (0.34) | TRPA1 | |
| Ethylene Glycol SCHEMBL2832859 | 0.85 | TRPA1 (0.42) | TRPA1TDP1TSHR | |
| Alcohol SCHEMBL6578240 | 0.85 | TRPA1 (0.42) | TRPA1TDP1TSHR | |
| Ethylene Glycol SCHEMBL28152293 | 0.85 | TRPA1 (0.42) | TRPA1TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012049146-A2 | POLYURETHANE-BASED SUNSCREEN COMPOSITION CONTAINING SPECIAL FILTER SUBSTANCES | BAYER MATERIALSCIENCE AG (DE) | 2012-04-19 | — | — | WO | disclosed |