Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | ABCC9 | O60706 | 5/20 | 0.40 |
| ▸ | KCNJ11 | Q14654 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.40 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 8/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9691821 | 0.93 | KDM4E (0.52) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL10817163 | 0.92 | KDM4E (0.50) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9691447 | 0.90 | KDM4E (0.48) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9691599 | 0.90 | KDM4E (0.48) | KDM4EALDH1A1CACNA1DABCC9KCNJ11 | |
| SCHEMBL9837421 | 0.89 | KDM4E (0.58) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL10817177 | 0.89 | KDM4E (0.52) | KDM4EALDH1A1ABCC9KCNJ11TP53 | |
| SCHEMBL9689270 | 0.87 | KDM4E (0.56) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL11006883 | 0.86 | KDM4E (0.77) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9691350 | 0.86 | ALDH1A1 (0.54) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL10975735 | 0.85 | CACNA1C (0.55) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S |
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 |