Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL679324 | 0.78 | GAA (0.45) | GRM6CYP2C9CYP2C19NPSR1CA12 | |
| SCHEMBL25304437 | 0.77 | CYP2C9 (0.37) | GRM6CYP2C9CYP2C19NPSR1CA12 | |
| SCHEMBL14289250 | 0.77 | CYP2C9 (0.47) | GRM6CYP2C9CYP2C19NPSR1CA12 | |
| SCHEMBL15359768 | 0.76 | GRM6 (0.40) | GRM6CYP2C9CYP2C19NPSR1MAPT | |
| SCHEMBL643173 | 0.76 | AAK1 (0.39) | GRM6CYP2C9CYP2C19NPSR1MAPT | |
| SCHEMBL20741090 | 0.75 | NR3C2 (0.41) | CYP2C9CYP2C19NPSR1GABRA1GABRG2 | |
| SCHEMBL27768243 | 0.75 | NR3C2 (0.34) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL522898 | 0.74 | TSHR (0.37) | GRM6CYP2C9CYP2C19NPSR1CA12 | |
| SCHEMBL5774469 | 0.74 | AKR1C3 (0.42) | GRM6CYP2C9CYP2C19NPSR1CA1 | |
| SCHEMBL20741075 | 0.74 | LMNA (0.42) | GRM6CYP2C9CYP2C19NPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109715633-A | Dopamine-B-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |