Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 10/20 | 0.34 |
| ▸ | PYGM | P11217 | 10/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951169 | 0.85 | NR3C2 (0.43) | NR3C2PYGLPYGMKMT2ALMNA | |
| SCHEMBL5752638 | 0.81 | PYGM (0.51) | NR3C2PYGLPYGMKDM4E | |
| SCHEMBL7307972 | 0.81 | PYGM (0.51) | NR3C2PYGLPYGMKDM4E | |
| SCHEMBL5754356 | 0.81 | PYGM (0.51) | NR3C2PYGLPYGMKDM4E | |
| SCHEMBL6952771 | 0.79 | NR3C2 (0.42) | NR3C2PYGLPYGMKMT2ALMNA | |
| SCHEMBL8017636 | 0.77 | PYGL (0.34) | PYGLPYGMXDH | |
| SCHEMBL5080218 | 0.76 | PYGL (0.38) | NR3C2PYGLPYGMKMT2ALMNA | |
| SCHEMBL6951439 | 0.76 | LMNA (0.44) | NR3C2PYGLPYGMKMT2ALMNA | |
| SCHEMBL9230837 | 0.74 | PYGM (0.51) | NR3C2PYGLPYGMXDH | |
| SCHEMBL6949655 | 0.74 | PYGL (0.44) | NR3C2PYGLPYGMLMNASMN1; SMN2 |
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-0716081-B1 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER HEALTHCARE AG (DE) | 2006-04-05 | — | — | EP | disclosed |
| EP-1443043-A2 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | Bayer HealthCare AG (DE) | 2004-08-04 | — | — | EP | disclosed |
| EP-0716081-A1 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AG (DE) | 1996-06-12 | — | — | EP | disclosed |