Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.36 |
| ▸ | CPB1 | P15086 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | TLR3 | O15455 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28407821 | 1.00 | IRAK4 (0.36) | IRAK4CPB1TACR1ATMTSHR | |
| SCHEMBL28889962 | 0.89 | IRAK4 (0.38) | IRAK4CPB1TACR1TSHRCA1 | |
| SCHEMBL21919490 | 0.89 | IRAK4 (0.38) | IRAK4CPB1TACR1TSHRCA1 | |
| SCHEMBL28404099 | 0.89 | IRAK4 (0.38) | IRAK4CPB1TACR1TSHRCA1 | |
| SCHEMBL20594507 | 0.88 | IRAK4 (0.39) | IRAK4MEN1KMT2A | |
| SCHEMBL21852671 | 0.84 | PDE4B (0.42) | ATMTDP1MEN1MAPTMAPK1 | |
| SCHEMBL21852669 | 0.84 | PDE4B (0.42) | ATMTDP1MEN1MAPTMAPK1 | |
| SCHEMBL28405305 | 0.84 | REN (0.35) | CPB1ATMPDE1CTLR3CA1 | |
| SCHEMBL28401644 | 0.84 | REN (0.35) | CPB1ATMPDE1CTLR3CA1 | |
| SCHEMBL20594485 | 0.79 | NAAA (0.33) | IRAK4CPB1ATMBRD4BRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094292-A | Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators | 豪夫迈·罗氏有限公司 | 2020-05-01 | — | — | CN | disclosed |