Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.33 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11110139 | 0.82 | NR3C2 (0.48) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11500369 | 0.82 | NR3C2 (0.46) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11291512 | 0.82 | KDM4E (0.47) | ALDH1A1CYP2C9CYP2C19HSD17B10NR3C2 | |
| SCHEMBL10913788 | 0.81 | CACNA1C (0.54) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11498937 | 0.80 | POLB (0.44) | TSHRALDH1A1HSD17B10ALOX15GAA | |
| SCHEMBL11500155 | 0.80 | ALDH1A1 (0.44) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8949402 | 0.80 | CACNA1D (0.41) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11291917 | 0.80 | CACNA1F (0.52) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11281855 | 0.79 | KDM4E (0.44) | TSHRALDH1A1HSD17B10ALOX15GAA | |
| SCHEMBL11280776 | 0.79 | CACNA1B (0.44) | TSHRCYP3A4CYP2C9CYP2C19CYP1A2 |
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-0011706-B1 | PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID, DERIVATIVES OF 1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID AND THE USE OF THESE DERIVATIVES FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATES | BAYER AG (DE) | 1982-03-03 | — | — | EP | disclosed |
| EP-0011706-A1 | Process for the preparation of derivatives of 1,4-dihydropyridine-3-carboxylic acid, derivatives of 1,4-dihydropyridine-3-carboxylic acid and the use of these derivatives for the preparation of 1,4-dihydropyridine-3,5-dicarboxylates | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |