Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PYGM | P11217 | 3/20 | 0.33 |
| ▸ | PYGL | P06737 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828158 | 0.91 | PYGM (0.35) | PYGMPYGL | |
| SCHEMBL9829012 | 0.88 | KDM4E (0.33) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL10425201 | 0.86 | PYGM (0.45) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL9827653 | 0.86 | PYGM (0.35) | PYGMPYGL | |
| SCHEMBL10968852 | 0.84 | PYGM (0.37) | KDM4EGAAPYGMPYGL | |
| SCHEMBL9829022 | 0.81 | PYGL (0.48) | PYGMPYGL | |
| SCHEMBL10969370 | 0.79 | PYGM (0.35) | KDM4EPYGMPYGL | |
| SCHEMBL10424875 | 0.78 | PYGM (0.46) | PYGMPYGL | |
| SCHEMBL10374452 | 0.76 | PYGM (0.36) | PYGMPYGL | |
| SCHEMBL10426101 | 0.76 | ADORA2B (0.42) | KDM4ECYP1A2CYP3A4GAAMAPT |
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-0229963-B1 | 4-THIENYL-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |
| EP-0229963-A2 | 4-Thienyl-dihydropyridines, process for their preparation and their use as pharmaceutical preparations | BAYER AG (DE) | 1987-07-29 | — | — | EP | disclosed |