Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL778096 | 0.84 | CA1 (0.42) | CA1CA2CA9ALDH1A1CA12 | |
| Formaldehyde SCHEMBL27924107 | 0.79 | CA1 (0.39) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL10896761 | 0.77 | CA1 (0.37) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL964196 | 0.75 | CA1 (0.36) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL5365363 | 0.74 | — | — | |
| Formaldehyde SCHEMBL27821465 | 0.73 | CA1 (0.34) | CA1CA2CA9ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9528500 | 0.73 | CA1 (0.39) | CA1CA2CA9ALDH1A1CA12 | |
| SCHEMBL125766 | 0.72 | CA1 (0.68) | CA1CA2CA9CA12CA7 | |
| Methyl Alcohol SCHEMBL10924123 | 0.71 | CA1 (0.33) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL7260164 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981841-A1 | PREPARATION OF THIOALKYLAMINES USING CHLOROSULFONIC ACID | Bayer CropScience AG (DE) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007022901-A1 | PREPARATION OF THIOALKYLAMINES USING CHLOROSULFONIC ACID | BAYER CROPSCIENCE AG (DE) | 2007-03-01 | — | — | WO | disclosed |