Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 5/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCND2 | P30279 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310517 | 0.88 | CDK4 (0.33) | BRD4MAP4K1CDK4CCND1CCND2 | |
| SCHEMBL26807256 | 0.86 | BRD4 (0.36) | IRAK4BRD4QPCTEGFRPTK2 | |
| SCHEMBL29566837 | 0.86 | BRD4 (0.36) | IRAK4BRD4QPCTEGFRPTK2 | |
| SCHEMBL24310306 | 0.86 | CDK4 (0.34) | BRD4MAP4K1EGFRDCLK1LRRK2 | |
| SCHEMBL24310561 | 0.82 | QPCT (0.32) | BRD4QPCTMAP4K1EGFRPTK2 | |
| SCHEMBL24309623 | 0.81 | MAP4K1 (0.37) | BRD4MAP4K1EGFR | |
| SCHEMBL24309807 | 0.80 | CDK4 (0.33) | BRD4MAP4K1CDK4ALKNPC1 | |
| SCHEMBL24310522 | 0.79 | MAP4K1 (0.31) | BRD4MAP4K1CDK4CCND1CCND2 | |
| SCHEMBL24310329 | 0.78 | MET (0.32) | MAP4K1CDK4 | |
| SCHEMBL24310319 | 0.78 | BRD4 (0.32) | BRD4MAP4K1EGFRCDK4CCND1 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |