Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 9/20 | 0.69 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.38 |
| ▸ | FADS1 | O60427 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30999950 | 0.89 | GSK3B (0.69) | GSK3BGSK3ASRD5A1PTGS2ROCK1 | |
| SCHEMBL30999936 | 0.89 | GSK3B (0.76) | GSK3BGSK3ATSHRSRD5A1PRKCA | |
| SCHEMBL18049442 | 0.72 | PTGS2 (0.62) | GSK3BGSK3AALDH1A1LMNAPTGS1 | |
| SCHEMBL30999985 | 0.70 | GSK3B (0.81) | GSK3BGSK3AALDH1A1LMNATSHR | |
| SCHEMBL30999951 | 0.69 | GSK3B (1.00) | GSK3BGSK3AALDH1A1LMNATSHR | |
| SCHEMBL7617252 | 0.68 | F10 (0.45) | ALDH1A1LMNATSHRNPSR1PDE4A | |
| SCHEMBL3677953 | 0.65 | GSK3B (0.60) | GSK3BGSK3APTGS2KDM4EMAPT | |
| SCHEMBL16827362 | 0.65 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29438611 | 0.65 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29438613 | 0.65 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024163852-A1 | HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2024-08-08 | — | — | WO | claimed |
| WO-2024163852-A1 | HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2024-08-08 | — | — | WO | disclosed |