Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030289 | 0.87 | IRAK4 (0.42) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19029967 | 0.76 | IRAK4 (0.45) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19030379 | 0.75 | IRAK4 (0.38) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19030191 | 0.75 | IRAK4 (0.38) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19030161 | 0.75 | IRAK4 (0.38) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19030214 | 0.74 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL19030032 | 0.74 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL19030479 | 0.74 | ESPL1 (0.44) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL19030770 | 0.74 | KMT2A (0.40) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL19030491 | 0.74 | IRAK4 (0.47) | IRAK4CYP1A2CYP2C9CYP2C19MEN1 |
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 |