Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 7/20 | 0.47 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | CDK14 | O94921 | 1/20 | 0.33 |
| ▸ | CCNY | Q8ND76 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23860699 | 1.00 | IRAK1 (0.47) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165287 | 0.91 | IRAK1 (0.48) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL23860732 | 0.91 | IRAK1 (0.48) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30279677 | 0.88 | IRAK1 (0.51) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL27084620 | 0.88 | IRAK1 (0.51) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165301 | 0.86 | NPC1 (0.38) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860734 | 0.86 | NPC1 (0.38) | NPC1RAB9ATP53ALDH1A1PKM | |
| SCHEMBL23860746 | 0.84 | IRAK1 (0.53) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL23860709 | 0.84 | IRAK1 (0.53) | IRAK1MAP3K19IRAK4NPC1RAB9A | |
| SCHEMBL30165339 | 0.84 | IRAK1 (0.53) | 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 1 patent. 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 |