Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1531389 | 0.78 | GRIK1 (0.36) | ALDH1A1 | |
| SCHEMBL119131 | 0.78 | GRIK1 (0.36) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1155809 | 0.76 | GRIK1 (0.35) | ALDH1A1 | |
| SCHEMBL9821234 | 0.74 | — | — | |
| Acetic Acid SCHEMBL11512956 | 0.74 | GRIK1 (0.34) | — | |
| SCHEMBL119322 | 0.74 | GRIK1 (0.40) | ALDH1A1 | |
| Chloromethane SCHEMBL124967 | 0.74 | GRIK1 (0.34) | ALDH1A1 | |
| Bromomethane SCHEMBL7095814 | 0.74 | GRIK1 (0.34) | — | |
| SCHEMBL6062933 | 0.73 | — | — | |
| SCHEMBL5072673 | 0.73 | GRIK1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5580983-A | Process for the preparation of N-acylated 2-chloro-5-aminomethylpyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-03 | — | — | US | disclosed |