Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MAP3K5 | Q99683 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577178 | 1.00 | GRM5 (0.43) | GRM5MAP3K5MAPTHPGDKDM4E | |
| SCHEMBL1576796 | 1.00 | GRM5 (0.43) | GRM5MAP3K5MAPTHPGDKDM4E | |
| SCHEMBL1524170 | 0.91 | GRM5 (0.46) | GRM5MAP3K5MAPTHPGDKDM4E | |
| SCHEMBL1576785 | 0.89 | MAP3K5 (0.46) | GRM5MAP3K5HPGDCYP2C9CYP2C19 | |
| SCHEMBL1577090 | 0.89 | MAP3K5 (0.46) | GRM5MAP3K5HPGDCYP2C9CYP2C19 | |
| SCHEMBL1576787 | 0.89 | MAP3K5 (0.46) | GRM5MAP3K5HPGDCYP2C9CYP2C19 | |
| SCHEMBL1576815 | 0.83 | CLK1 (0.42) | GRM5MAP3K5MAPTHPGDCYP2C9 | |
| SCHEMBL1577093 | 0.83 | CLK1 (0.42) | GRM5MAP3K5MAPTHPGDCYP2C9 | |
| SCHEMBL1576818 | 0.83 | CLK1 (0.42) | GRM5MAP3K5MAPTHPGDCYP2C9 | |
| SCHEMBL1576828 | 0.82 | GRM5 (0.41) | GRM5MAPTHPGDKDM4ECYP2C9 |
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-2011041293-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-07 | — | — | WO | claimed |
| WO-2011041293-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-07 | — | — | WO | disclosed |