Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 9/20 | 0.54 |
| ▸ | ATP1A1 | P05023 | 8/20 | 0.54 |
| ▸ | ATP1B1 | P05026 | 8/20 | 0.54 |
| ▸ | ATP1A3 | P13637 | 8/20 | 0.54 |
| ▸ | ATP1B2 | P14415 | 8/20 | 0.54 |
| ▸ | ATP1A2 | P50993 | 8/20 | 0.54 |
| ▸ | ATP1B3 | P54709 | 8/20 | 0.54 |
| ▸ | FXYD2 | P54710 | 8/20 | 0.54 |
| ▸ | ATP1A4 | Q13733 | 8/20 | 0.54 |
| ▸ | LMNA | P02545 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ATP12A | P54707 | 1/20 | 0.54 |
| ▸ | SLCO4C1 | Q6ZQN7 | 2/20 | 0.51 |
| ▸ | STAT3 | P40763 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11208371 | 0.89 | ATP1A1 (0.52) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8830484 | 0.85 | TP53 (0.56) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8830696 | 0.85 | TP53 (0.56) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| Ethyl Acetate SCHEMBL2958120 | 0.78 | ATP1A1 (0.51) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL11219373 | 0.78 | ATP1A1 (0.46) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL11207874 | 0.78 | ATP1A1 (0.52) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL11211273 | 0.78 | ATP1A1 (0.53) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| Ethyl Acetate SCHEMBL2960997 | 0.78 | ATP1A1 (0.50) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL15581708 | 0.76 | ATP1A1 (0.83) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8999665 | 0.73 | TP53 (0.68) | TP53ATP1A1ATP1B1ATP1A3ATP1B2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0047928-B1 | CARDENOLIDE-BIS-DIGITOXOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR UTILIZATION AS MEDICINES | Roche Diagnostics GmbH (DE) | 1983-09-21 | — | — | EP | claimed |
| US-4353895-A | CARDIOTONIC AGENTS WITH DESIRABLE RATES OF EXCRETION, PRIMARILY EXTRARENALLY | BOEHRINGER MANNHEIM GMBH (DE) | 1982-10-12 | — | — | US | claimed |
| EP-0047928-A1 | Cardenolide-bis-digitoxoside derivatives, process for their preparation and their utilization as medicines | Roche Diagnostics GmbH (DE) | 1982-03-24 | — | — | EP | claimed |
| EP-0047928-B1 | CARDENOLIDE-BIS-DIGITOXOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR UTILIZATION AS MEDICINES | Roche Diagnostics GmbH (DE) | 1983-09-21 | — | — | EP | disclosed |
| US-4353895-A | CARDIOTONIC AGENTS WITH DESIRABLE RATES OF EXCRETION, PRIMARILY EXTRARENALLY | BOEHRINGER MANNHEIM GMBH (DE) | 1982-10-12 | — | — | US | disclosed |
| EP-0047928-A1 | Cardenolide-bis-digitoxoside derivatives, process for their preparation and their utilization as medicines | Roche Diagnostics GmbH (DE) | 1982-03-24 | — | — | EP | disclosed |