Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | FABP6 | P51161 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24673205 | 0.87 | MPO (0.33) | MPOCACNA1BDRD2DRD3MAOB | |
| SCHEMBL29943113 | 0.79 | MPO (0.71) | MPODRD2DRD3ALOX15KDM4E | |
| SCHEMBL24672941 | 0.79 | MPO (0.71) | MPODRD2DRD3ALOX15KDM4E | |
| SCHEMBL24672649 | 0.79 | MPO (0.71) | MPODRD2DRD3ALOX15KDM4E | |
| SCHEMBL4732925 | 0.76 | CYP2C9 (0.57) | MPOCACNA1BALOX15KDM4EGAA | |
| SCHEMBL24673202 | 0.76 | MPO (0.39) | MPOCACNA1BMAOBBRD4TP53 | |
| SCHEMBL24672650 | 0.74 | MPO (0.53) | MPODRD2DRD3MAOBALOX15 | |
| SCHEMBL24673245 | 0.70 | MPO (0.56) | MPODRD2DRD3ALOX15KDM4E | |
| SCHEMBL29942613 | 0.69 | GAA (0.57) | KDM4EGAAMAPTALDH1A1LMNA | |
| SCHEMBL8860654 | 0.68 | DRD2 (0.47) | DRD2DRD3BRD4USP2DRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4308177-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | The Research Foundation for The State University of New York (US) | 2024-01-24 | — | — | EP | disclosed |
| WO-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |
| WO-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |