Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7276290 | 0.81 | ALDH1A1 (0.56) | ALDH1A1 | |
| SCHEMBL7267137 | 0.81 | ALDH1A1 (1.00) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7275533 | 0.80 | ALDH1A1 (0.97) | ALDH1A1 | |
| Oxalic Acid SCHEMBL7267054 | 0.75 | ALDH1A1 (0.67) | ALDH1A1 | |
| SCHEMBL7267763 | 0.74 | ALDH1A1 (0.78) | ALDH1A1 | |
| SCHEMBL7448079 | 0.74 | ALDH1A1 (0.73) | ALDH1A1 | |
| SCHEMBL19835926 | 0.74 | ALDH1A1 (0.70) | ALDH1A1 | |
| SCHEMBL7274424 | 0.74 | ALDH1A1 (0.73) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7267051 | 0.73 | ALDH1A1 (0.59) | ALDH1A1 | |
| SCHEMBL14679172 | 0.73 | LMNA (0.57) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | disclosed |
| US-4952587-A | PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S | MERCK SHARP & DOHME LTD. (GB) | 1990-08-28 | — | — | US | disclosed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | disclosed |