Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.39 |
| ▸ | CCR1 | P32246 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19046152 | 0.80 | IRAK4 (0.56) | IRAK4 | |
| SCHEMBL19046250 | 0.74 | IRAK4 (0.58) | IRAK4 | |
| SCHEMBL19030087 | 0.74 | HTR2A (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL26251980 | 0.74 | CCR1 (0.47) | CCR1DRD2HTR2AHTR2C | |
| SCHEMBL19045886 | 0.73 | IRAK4 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19030470 | 0.73 | MAPT (0.40) | KMT2A | |
| SCHEMBL19045959 | 0.71 | IRAK4 (0.36) | IRAK4CCR1 | |
| SCHEMBL19045150 | 0.69 | IRAK4 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL21084152 | 0.69 | HDAC6 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13698989 | 0.69 | KDM4E (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |