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 | |
|---|---|---|---|---|
| SCHEMBL26073775 | 0.91 | ALDH1A1 (0.35) | ALDH1A1TP53 | |
| SCHEMBL27995057 | 0.91 | ALDH1A1 (0.35) | ALDH1A1TP53 | |
| SCHEMBL26927676 | 0.87 | ALDH1A1 (0.37) | ALDH1A1TP53 | |
| SCHEMBL113161 | 0.84 | — | — | |
| SCHEMBL19860323 | 0.81 | MEN1 (0.40) | ALDH1A1TP53 | |
| SCHEMBL6181509 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TP53 | |
| SCHEMBL30859128 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TP53 | |
| SCHEMBL20357702 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TP53 | |
| SCHEMBL20450717 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TP53 | |
| SCHEMBL1447159 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TP53 |
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-4031111-A | Macrocyclic hetero imine complexing agents | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-06-21 | — | — | US | disclosed |