Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689489 | 0.91 | KDM4E (0.53) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9691609 | 0.88 | CACNA1C (0.45) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL11002812 | 0.87 | KDM4E (0.59) | KDM4EALDH1A1TP53CACNA1FCACNA1D | |
| SCHEMBL9691795 | 0.87 | KDM4E (0.45) | KDM4EALDH1A1TP53CACNA1FCACNA1D | |
| SCHEMBL9691628 | 0.87 | KDM4E (0.47) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL11168071 | 0.85 | KDM4E (0.43) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9690779 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9691230 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL10921797 | 0.85 | CACNA1C (0.50) | TP53CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9691723 | 0.82 | KDM4E (0.47) | KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |