Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.31 |
| ▸ | DRD3 | P35462 | 3/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24673202 | 0.92 | MPO (0.39) | MPOCACNA1BMAOBBRD4KDM4E | |
| SCHEMBL24673219 | 0.87 | MPO (0.42) | MPOCACNA1BDRD2DRD3MAOB | |
| SCHEMBL24673201 | 0.84 | MPO (0.52) | MPODRD2DRD3KDM4E | |
| SCHEMBL24673200 | 0.83 | PKM (0.43) | DRD2DRD3KDM4E | |
| SCHEMBL24672258 | 0.76 | KDM4E (0.51) | KDM4EGAA | |
| SCHEMBL24672677 | 0.75 | MPO (0.63) | MPOKDM4E | |
| SCHEMBL24672676 | 0.75 | MPO (0.63) | MPOKDM4E | |
| SCHEMBL24673197 | 0.73 | KDM4E (0.45) | KDM4E | |
| SCHEMBL24672851 | 0.73 | MC4R (0.35) | DRD2DRD3DRD4SLC6A3 | |
| SCHEMBL24672941 | 0.69 | MPO (0.71) | MPODRD2DRD3KDM4E |
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-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 |