Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 8/20 | 0.53 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL23860746 | 1.00 | IRAK1 (0.53) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL23860709 | 0.89 | IRAK1 (0.53) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165339 | 0.89 | IRAK1 (0.53) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30279677 | 0.87 | IRAK1 (0.51) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL27084620 | 0.87 | IRAK1 (0.51) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL23860732 | 0.84 | IRAK1 (0.48) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165287 | 0.84 | IRAK1 (0.48) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL23860699 | 0.84 | IRAK1 (0.47) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165286 | 0.84 | IRAK1 (0.47) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL21328540 | 0.81 | IRAK1 (0.66) | IRAK1MAP3K19IRAK4NPC1RAB9A |
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-4125895-A1 | POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 | Dana-Farber Cancer Institute, Inc. (US) | 2023-02-08 | — | — | EP | disclosed |
| CN-115484954-A | Potent and selective irreversible inhibitors of IRAK1 | 达纳-法伯癌症研究所股份有限公司 | 2022-12-16 | — | — | CN | disclosed |