Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2983076 | 0.88 | ALDH1A1 (0.49) | ALDH1A1TSHRKEAP1NFE2L2ALOX15 | |
| Hydrochloric Acid SCHEMBL21404871 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TSHRKEAP1NFE2L2ALOX15 | |
| SCHEMBL13531464 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRKEAP1NFE2L2CAPN1 | |
| SCHEMBL13531457 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TSHRKEAP1NFE2L2ALOX15 | |
| SCHEMBL29946854 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TSHRKEAP1NFE2L2ALOX15 | |
| SCHEMBL38651961 | 0.80 | KEAP1 (0.64) | ALDH1A1TSHRKEAP1NFE2L2L3MBTL1 | |
| SCHEMBL29793704 | 0.80 | KEAP1 (0.48) | ALDH1A1TSHRKEAP1NFE2L2KDM4E | |
| SCHEMBL38652019 | 0.80 | KEAP1 (0.48) | ALDH1A1TSHRKEAP1NFE2L2NPC1 | |
| SCHEMBL29793790 | 0.80 | KEAP1 (0.48) | ALDH1A1TSHRKEAP1NFE2L2ALOX15 | |
| SCHEMBL20026908 | 0.80 | KEAP1 (0.51) | ALDH1A1TSHRKEAP1NFE2L2CAPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3986482-A1 | IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF | The Research Foundation for The State University of New York (US) | 2022-04-27 | — | — | EP | disclosed |