Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 13/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030706 | 0.85 | MAPT (0.47) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030679 | 0.74 | MAPT (0.47) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030461 | 0.74 | MAPT (0.49) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030243 | 0.72 | IRAK4 (0.48) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL29935163 | 0.72 | IRAK4 (0.48) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030012 | 0.68 | MAPT (0.52) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL17651126 | 0.67 | MAPT (0.76) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030029 | 0.67 | MAPT (0.49) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL19030504 | 0.67 | AKR1B1 (0.47) | MAPTALDH1A1LMNAHTTNPSR1 | |
| SCHEMBL29935298 | 0.66 | IRAK4 (0.47) | MAPTALDH1A1LMNAHTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |