Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Ligustrazine SCHEMBL77624 | 0.76 | LMNA (0.41) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL27509607 | 0.76 | LMNA (0.41) | KDM4EALDH1A1LMNA | |
| SCHEMBL5925893 | 0.71 | LMNA (0.40) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL583535 | 0.71 | KDM4E (0.39) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL583011 | 0.71 | KDM4E (0.39) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL27734114 | 0.71 | ALDH1A1 (0.39) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL28568980 | 0.68 | KDM4E (0.37) | KDM4EALDH1A1LMNA | |
| Ligustrazine SCHEMBL28208969 | 0.68 | KDM4E (0.37) | KDM4EALDH1A1LMNA | |
| SCHEMBL21578188 | 0.67 | — | — | |
| SCHEMBL16376276 | 0.67 | IDO1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5260293-A | Simulate central muscarinic acetlycholine receptors | MERCK SHARP & DOHME LIMITED (GB) | 1993-11-09 | — | — | US | disclosed |
| EP-0327155-A2 | Pyrazines, pyrimidines and pyridazines, useful in the treatment of senile dementia | MERCK SHARP & DOHME LTD. (GB) | 1989-08-09 | — | — | EP | disclosed |