Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8360690 | 0.89 | TSHR (0.38) | CA12CA9CA1CA2CHRM2 | |
| Isopropyl Alcohol SCHEMBL3893557 | 0.83 | ALDH1A1 (0.46) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL9796859 | 0.81 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Isopropyl Alcohol SCHEMBL3202296 | 0.80 | ALDH1A1 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Isopropyl Alcohol SCHEMBL28231979 | 0.80 | ALDH1A1 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Isopropyl Alcohol SCHEMBL18984957 | 0.80 | ALDH1A1 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8701819 | 0.80 | TSHR (0.40) | CA12CA9CA1CA2CHRM2 | |
| Acetic Acid SCHEMBL5903857 | 0.79 | CHRM2 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Chloroform SCHEMBL27284102 | 0.78 | TSHR (0.35) | CA12CA9CA1CHRM2CHRM4 | |
| SCHEMBL3640654 | 0.77 | CHRM2 (0.42) | CA12CA9CA1CA2CHRM2 |
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-2004016569-A1 | PROCESS FOR THE REDUCTION OF SULPHOXIDES TO SULPHIDES | EISAI CO., LTD. (JP) | 2004-02-26 | — | — | WO | disclosed |