Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL31633494 | 1.00 | — | — | |
| SCHEMBL31313730 | 0.95 | CA1 (0.40) | CA1CA2CA9FFAR3ALDH1A1 | |
| SCHEMBL7793 | 0.95 | — | — | |
| SCHEMBL19971545 | 0.91 | CA1 (0.31) | CA1CA2CA9 | |
| Fluoride SCHEMBL23213374 | 0.90 | CA1 (0.36) | CA1CA2CA9FFAR3ALDH1A1 | |
| SCHEMBL3141792 | 0.90 | — | — | |
| Water SCHEMBL11147383 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL3392168 | 0.90 | — | — | |
| SCHEMBL20942756 | 0.90 | — | — | |
| SCHEMBL5836397 | 0.90 | CA1 (0.36) | CA1CA2CA9FFAR3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113176305-B | Composite gas-sensitive material and preparation method thereof, ethanol gas sensor and preparation method thereof | 西安交通大学 | 2024-01-12 | — | — | CN | disclosed |