Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.34 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7916780 | 0.79 | ALDH1A1 (0.43) | ALDH1A1ALOX5MAPTTHRBTP53 | |
| SCHEMBL926592 | 0.78 | NPC1 (0.37) | ALDH1A1MAPT | |
| SCHEMBL927099 | 0.78 | NPC1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL7911391 | 0.78 | ALDH1A1 (0.45) | ALDH1A1ALOX5MAPTTHRBMAOB | |
| SCHEMBL7913187 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX5MAPTTHRBTP53 | |
| SCHEMBL927202 | 0.75 | NPC1 (0.35) | ALDH1A1MAPT | |
| SCHEMBL928061 | 0.75 | CNR1 (0.34) | ALDH1A1MAPT | |
| SCHEMBL7903011 | 0.73 | ALDH1A1 (0.39) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7916701 | 0.73 | NPC1 (0.39) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7916777 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAPT |
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-6258829-B1 | ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS | TOA EIYO LTD. (JP) | 2001-07-10 | — | — | US | disclosed |
| EP-0972767-A1 | CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME | TOA EIYO LTD. (JP) | 2000-01-19 | — | — | EP | disclosed |