Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062769 | 0.86 | PDGFRA (0.34) | PIK3CABRAFPDGFRAACVR1BRIPK1 | |
| SCHEMBL8045064 | 0.84 | CFTR (0.36) | PIK3CABRAFPDGFRAACVR1BRIPK1 | |
| SCHEMBL8045258 | 0.84 | BRAF (0.33) | PIK3CABRAFPDGFRAACVR1BRIPK1 | |
| SCHEMBL8045039 | 0.82 | RARB (0.35) | ALDH1A1KDM4EGAAHPGDTSHR | |
| SCHEMBL8045253 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAHPGDTSHR | |
| SCHEMBL21032580 | 0.73 | PKM (0.34) | PKMALDH1A1KDM4EWDR5GAA | |
| SCHEMBL522786 | 0.71 | CA12 (0.47) | ALDH1A1KDM4EGAAHPGDTSHR | |
| SCHEMBL410165 | 0.67 | ALPL (0.45) | PKMALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8058193 | 0.67 | VEGFA (0.41) | PKMALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8058138 | 0.67 | KDM4E (0.36) | PDGFRAALDH1A1KDM4EGAAHPGD |
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-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |