Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 9/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 7/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 7/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 7/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9691280 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4ECACNA1CMEN1MAPT | |
| SCHEMBL11006153 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ECACNA1CMEN1MAPT | |
| SCHEMBL9691845 | 0.89 | ALDH1A1 (0.47) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9691606 | 0.88 | KDM4E (0.52) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL11008399 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4ECACNA1CMEN1MAPT | |
| SCHEMBL11008396 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4ECACNA1CMEN1MAPT | |
| SCHEMBL10817896 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9691203 | 0.85 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTKMT2AGAA | |
| SCHEMBL9689606 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9689646 | 0.84 | KDM4E (0.47) | ALDH1A1KDM4EMEN1MAPTKMT2A |
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 3 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-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | 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 |