Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL3664697 | 0.91 | — | — | |
| Acetonitrile SCHEMBL28299278 | 0.91 | — | — | |
| Cyclopropane SCHEMBL27351451 | 0.91 | — | — | |
| Cyclohexane SCHEMBL28902153 | 0.91 | ALDH1A1 (0.32) | ALDH1A1 | |
| Cyclopentane SCHEMBL3900790 | 0.91 | — | — | |
| Cyclohexane SCHEMBL11709129 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 | |
| Acetonitrile SCHEMBL29158105 | 0.86 | — | — | |
| Acetonitrile SCHEMBL9069073 | 0.85 | CA1 (0.40) | ALDH1A1CA1CA2CA5ACA9 | |
| Acetonitrile SCHEMBL16336381 | 0.85 | CA1 (0.40) | ALDH1A1CA1CA2CA5ACA9 | |
| Acetonitrile SCHEMBL235806 | 0.85 | — | — |
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-1121069-A | Process for the preparation of alkanesulphonic acids | ATOCHEM ELF SA (FR) | 1996-04-24 | — | — | CN | disclosed |