Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672941 | 0.88 | MPO (0.71) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL24672649 | 0.88 | MPO (0.71) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL29943113 | 0.88 | MPO (0.71) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL4586703 | 0.85 | MPO (0.70) | MPOKDM4EPKMHTTTSHR | |
| SCHEMBL2314927 | 0.81 | MPO (0.59) | MPOKDM4EPKMHTTTSHR | |
| SCHEMBL24673245 | 0.78 | MPO (0.56) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL2315714 | 0.76 | MPO (0.62) | MPODRD2DRD3KDM4EHTT | |
| SCHEMBL24673201 | 0.75 | MPO (0.52) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL24673219 | 0.74 | MPO (0.42) | MPODRD2DRD3KDM4ETSHR | |
| SCHEMBL24672239 | 0.72 | MPO (0.41) | MPODRD2DRD3KDM4EALDH1A1 |
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 |