Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10817440 | 0.94 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAACYP2C9HSD17B10 | |
| SCHEMBL9691465 | 0.91 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAACYP2C9HSD17B10 | |
| SCHEMBL9690847 | 0.90 | FABP4 (0.45) | KDM4EGAANR1I2TP53LMNA | |
| SCHEMBL9691359 | 0.87 | POLB (0.44) | ALDH1A1KDM4EGAAHSD17B10MEN1 | |
| SCHEMBL10649148 | 0.86 | HPGD (0.41) | ALDH1A1KDM4EGAACYP2C9HSD17B10 | |
| SCHEMBL9690877 | 0.86 | HTR6 (0.43) | KDM4EGAANR1I2MAPTSLC6A3 | |
| SCHEMBL10374975 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAACYP2C9HSD17B10 | |
| SCHEMBL9691648 | 0.84 | TP53 (0.41) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL10914095 | 0.83 | POLB (0.46) | ALDH1A1KDM4EGAAHSD17B10MEN1 | |
| SCHEMBL9691625 | 0.83 | NR1I2 (0.42) | ALDH1A1KDM4EGAAKMT2ANR1I2 |
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-0288758-A2 | Dihydropyridinamides, process for their preparation and their use in medicines | BAYER AG (DE) | 1988-11-02 | — | — | EP | disclosed |