Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672239 | 0.79 | MPO (0.41) | DRD2DRD3HTR6CYP3A4CYP2D6 | |
| SCHEMBL24672944 | 0.72 | LMNA (0.52) | PKMHTT | |
| SCHEMBL24462525 | 0.72 | KDM4E (0.44) | DRD2DRD3HTT | |
| SCHEMBL24672650 | 0.72 | MPO (0.53) | DRD2DRD3PKMHTT | |
| SCHEMBL24672649 | 0.71 | MPO (0.71) | DRD2DRD3 | |
| SCHEMBL29943113 | 0.71 | MPO (0.71) | DRD2DRD3 | |
| SCHEMBL24672941 | 0.71 | MPO (0.71) | DRD2DRD3 | |
| Sulfuric Acid SCHEMBL28066027 | 0.69 | PIK3CD (0.42) | DRD2DRD3 | |
| SCHEMBL24672242 | 0.66 | KDM4E (0.68) | HTT | |
| SCHEMBL21797152 | 0.66 | KDM4E (0.68) | HTT |
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 |