Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12436726 | 1.00 | ELANE (0.49) | ELANEKDM5AKDM4EALDH1A1GAA | |
| SCHEMBL28488542 | 0.85 | ALDH1A1 (0.58) | KDM5AKDM4EALDH1A1GAAHCRTR1 | |
| SCHEMBL19215315 | 0.83 | ALDH1A1 (0.64) | KDM5AKDM4EALDH1A1GAAHCRTR1 | |
| SCHEMBL20068957 | 0.77 | KDM5A (0.57) | KDM5AALDH1A1 | |
| SCHEMBL22722015 | 0.77 | SMYD3 (0.64) | KDM4EALDH1A1GAASMYD3RAB9A | |
| SCHEMBL12436733 | 0.77 | SMYD3 (0.64) | KDM4EALDH1A1GAASMYD3RAB9A | |
| SCHEMBL20147609 | 0.75 | KDM5A (0.56) | KDM5AKDM4EALDH1A1GAAHCRTR1 | |
| SCHEMBL21652053 | 0.74 | KDM5A (0.55) | KDM5A | |
| SCHEMBL24291941 | 0.74 | RIPK1 (0.45) | ELANEKDM4EALDH1A1HCRTR1 | |
| SCHEMBL19190403 | 0.73 | RIPK1 (0.44) | PDE4BPDE4DPDE4APDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |