Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL358339 | 0.81 | PDGFRB (0.38) | CYP3A4PDE10APDE3BPDE3AALDH1A1 | |
| SCHEMBL358338 | 0.81 | PDGFRB (0.38) | CYP3A4PDE10APDE3BPDE3AALDH1A1 | |
| SCHEMBL16146675 | 0.81 | PDGFRB (0.38) | CYP3A4PDE10APDE3BPDE3AALDH1A1 | |
| SCHEMBL14461324 | 0.75 | BACE1 (0.43) | CYP3A4BACE1MEN1KMT2AHTT | |
| SCHEMBL31569868 | 0.75 | BACE1 (0.36) | ACSL1BACE1FPR2PROKR1MEN1 | |
| SCHEMBL31569676 | 0.72 | SLC16A3 (0.36) | ACSL1BACE1MEN1KMT2A | |
| SCHEMBL5375637 | 0.72 | IKBKB (0.57) | CYP3A4PDE10APDE3BPDE3AKCNH2 | |
| SCHEMBL2439918 | 0.70 | PDE10A (0.47) | CYP3A4PDE10APDE3BPDE3AALDH1A1 | |
| SCHEMBL2439919 | 0.70 | PDE10A (0.47) | CYP3A4PDE10APDE3BPDE3AALDH1A1 | |
| SCHEMBL19984341 | 0.70 | BACE1 (0.40) | CYP3A4BACE1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |