Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4B | O94953 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL31434704 | 0.84 | CHEK2 (0.42) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL533611 | 0.78 | FYN (0.45) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL15384267 | 0.78 | CHEK2 (0.48) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL15075795 | 0.74 | CYP2A6 (0.55) | CHEK2KDM5BKDM4AKDM4BKDM5C | |
| SCHEMBL9966326 | 0.74 | CHEK2 (0.51) | CHEK2KDM5BKDM4AKDM4BKDM5C | |
| SCHEMBL31434582 | 0.72 | CHEK2 (0.37) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL14754363 | 0.71 | CA2 (0.41) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL27163605 | 0.71 | CYP2A6 (0.50) | CHEK2PIK3CAPI4KAPI4KBPOLB | |
| SCHEMBL3245236 | 0.71 | CHEK2 (0.41) | CHEK2ESR1KDM5BKDM4AKDM4B | |
| SCHEMBL496710 | 0.71 | LTA4H (0.47) | CHEK2ESR1KDM5BKDM4AKDM4B |
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-2025085347-A1 | IL4I1 INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2025-04-24 | — | — | WO | disclosed |