Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 13/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | JMJD6 | Q6NYC1 | 3/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978806 | 0.79 | IRAK1 (0.56) | IRAK1IRAK4 | |
| SCHEMBL29978662 | 0.77 | CTSA (0.41) | IRAK4 | |
| SCHEMBL17247606 | 0.73 | KMT2A (0.55) | KMT2AMPO | |
| SCHEMBL7958916 | 0.72 | TRPV3 (0.45) | KMT2A | |
| SCHEMBL20745959 | 0.71 | GRIN1 (0.47) | IRAK4 | |
| SCHEMBL16200337 | 0.71 | BCHE (0.37) | JMJD6 | |
| SCHEMBL23167158 | 0.71 | CTSS (0.44) | — | |
| SCHEMBL20745605 | 0.71 | IRAK4 (0.37) | IRAK4KMT2A | |
| SCHEMBL16675860 | 0.70 | CLK4 (0.62) | KMT2A | |
| SCHEMBL24007658 | 0.70 | CLK2 (0.43) | IRAK1IRAK4 |
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-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |