Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18936312 | 1.00 | ALDH1A1 (0.30) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL18936280 | 0.85 | NPSR1 (0.46) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL18936281 | 0.85 | NPSR1 (0.46) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL11655352 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL21333429 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL11655353 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL2335326 | 0.84 | NPSR1 (0.35) | ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL18936282 | 0.82 | MAPT (0.31) | ALDH1A1 | |
| SCHEMBL18936283 | 0.82 | MAPT (0.31) | ALDH1A1 | |
| SCHEMBL11654683 | 0.81 | CES2 (0.39) | ALDH1A1CYP2D6SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3178813-A1 | METHOD FOR PREPARING HALOGENATED 3-OXOCARBOXYLATES CARRYING A 2-ALKOXYMETHYLIDENE OR A 2-DIALKYLAMINOMETHYLIDENE GROUP | BASF SE (DE) | 2017-06-14 | — | — | EP | disclosed |