Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL2825469 | 0.90 | GAA (0.45) | KDM4EMEN1KMT2ANPSR1GAA | |
| SCHEMBL2829123 | 0.82 | ENPP1 (0.40) | HTTKDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL2821075 | 0.78 | PRNP (0.59) | HTTPRNPPPARGRXFP1NR2E3 | |
| SCHEMBL2823585 | 0.73 | ALDH1A1 (0.61) | HTTKDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL2821517 | 0.72 | NPSR1 (0.67) | HTTKDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL2821493 | 0.72 | MAPT (0.46) | KDM4EMEN1KMT2ANPSR1GAA | |
| SCHEMBL2821849 | 0.72 | GAA (0.46) | ESR1KDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL2823193 | 0.71 | FABP3 (0.45) | HTTKDM4EMEN1KMT2ANPSR1 | |
| SCHEMBL2825660 | 0.70 | NR1H2 (0.41) | — | |
| SCHEMBL2824583 | 0.70 | NCF1 (0.43) | HTTKDM4EMEN1KMT2ANPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809605-B1 | QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | claimed |