Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL1979 | 0.96 | — | — | |
| Fluoride SCHEMBL73856 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| SCHEMBL4727402 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| Bromide SCHEMBL1999327 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| SCHEMBL3210302 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| Fluoride SCHEMBL1025918 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| Hydrochloric Acid SCHEMBL366444 | 0.92 | ALDH1A1 (0.44) | ALDH1A1TAAR1 | |
| Trimethylammonium SCHEMBL4940105 | 0.86 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL4787789 | 0.86 | ALDH1A1 (0.39) | ALDH1A1 | |
| Dimethylamine SCHEMBL6889985 | 0.83 | ALDH1A1 (0.37) | ALDH1A1 |
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-2005094842-A1 | VITAMIN B12-CONTAINING COMPOSITIONS AND METHODS OF USE | TRANSITION THERAPEUTICS INC. (CA) | 2005-10-13 | — | — | WO | disclosed |