Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | WDR5 | P61964 | 1/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.30 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720425 | 0.83 | FABP1 (0.37) | — | |
| SCHEMBL21187438 | 0.67 | HSD11B1 (0.42) | HSD11B1MAPK14GRM2 | |
| SCHEMBL21187571 | 0.67 | HSD11B1 (0.48) | P2RX7HSD11B1HTR1AHTR7KDM4E | |
| SCHEMBL7827660 | 0.66 | PARP1 (0.35) | POLBCYP3A4 | |
| SCHEMBL21187476 | 0.66 | HSD11B1 (0.43) | HSD11B1MAPK14 | |
| SCHEMBL3714746 | 0.62 | DHFR (0.42) | KDM4E | |
| SCHEMBL21187496 | 0.61 | NISCH (0.34) | HSD11B1MAPK14 | |
| SCHEMBL21187487 | 0.61 | TDO2 (0.35) | HSD11B1MAPK14GRM2 | |
| SCHEMBL21187570 | 0.61 | NISCH (0.42) | HSD11B1MAPK14KDM4EPOLBDPP4 | |
| SCHEMBL27762859 | 0.60 | PARP1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | claimed |
| WO-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |