Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 6/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | TDO2 | P48775 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10124190 | 0.79 | CYP17A1 (0.44) | NR3C1CYP17A1CYP1A2IDO1TDO2 | |
| SCHEMBL2361171 | 0.77 | GRIN1 (0.45) | NR3C1CYP17A1CYP1A2IDO1TDO2 | |
| SCHEMBL27075089 | 0.71 | HSD17B1 (0.39) | NR3C1ESR1 | |
| SCHEMBL30729044 | 0.71 | HSD17B1 (0.39) | NR3C1ESR1 | |
| SCHEMBL25340505 | 0.69 | NR3C1 (0.36) | NR3C1CYP17A1CYP1A2MAPK1CYP11B2 | |
| SCHEMBL30572930 | 0.69 | NR3C1 (0.36) | NR3C1CYP17A1CYP1A2MAPK1CYP11B2 | |
| SCHEMBL15331211 | 0.67 | ALDH1A1 (0.43) | NR3C1CYP17A1CYP1A2IDO1TDO2 | |
| SCHEMBL4184776 | 0.66 | ALDH1A1 (0.56) | CYP17A1CYP1A2IDO1TDO2ALDH1A1 | |
| SCHEMBL27074772 | 0.65 | HSD17B1 (0.43) | NR3C1ESR1MAPK1 | |
| SCHEMBL714057 | 0.65 | KMT2A (0.65) | CYP17A1CYP1A2ALDH1A1KAT2BPIN1 |
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-2533639-A1 | PYRAZOLOPYRIDINE, PYRAZOLOPYRAZINE, PYRAZOLOPYRIMIDINE, PYRAZOLOTHIOPHENE AND PYRAZOLOTHIAZOLE COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOUNDS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | Vanderbilt University (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100607-A1 | PYRAZOLOPYRIDINE, PYRAZOLOPYRAZINE, PYRAZOLOPYRIMIDINE, PYRAZOLOTHIOPHENE AND PYRAZOLOTHIAZOLE COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOUNDS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | VANDERBILT UNIVERSITY (US) | 2011-08-18 | — | — | WO | disclosed |