Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828735 | 0.88 | KDM4E (0.36) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL10426101 | 0.85 | ADORA2B (0.42) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL9828158 | 0.79 | PYGM (0.35) | — | |
| SCHEMBL9045462 | 0.79 | SLC6A3 (0.38) | CYP1A2CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL10425201 | 0.76 | PYGM (0.45) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL9827653 | 0.74 | PYGM (0.35) | — | |
| SCHEMBL10968852 | 0.72 | PYGM (0.37) | KDM4EGAATSHRHSD17B10 | |
| SCHEMBL9830677 | 0.71 | ALDH1A1 (0.41) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL10424603 | 0.69 | HSD17B10 (0.56) | KDM4ECYP1A2CYP3A4GAAMAPT | |
| SCHEMBL9829022 | 0.69 | PYGL (0.48) | — |
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 |