Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672851 | 0.88 | MC4R (0.35) | DRD2DRD3MEN1KMT2ADRD4 | |
| SCHEMBL24672238 | 0.79 | DRD2 (0.40) | DRD2DRD3HTR6CYP3A4CYP2D6 | |
| SCHEMBL29943113 | 0.78 | MPO (0.71) | MPODRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL24672649 | 0.78 | MPO (0.71) | MPODRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL24672941 | 0.78 | MPO (0.71) | MPODRD2DRD3KDM4EALDH1A1 | |
| SCHEMBL28532123 | 0.77 | CYP2A13 (0.55) | MPOKDM4ETDP1CYP3A4CYP2D6 | |
| SCHEMBL29943098 | 0.76 | MPO (0.38) | MPOKDM4ETDP1NPSR1CA2 | |
| SCHEMBL24672850 | 0.76 | MPO (0.38) | MPOKDM4ETDP1NPSR1CA2 | |
| SCHEMBL24672944 | 0.76 | LMNA (0.52) | MPOKDM4EALDH1A1 | |
| SCHEMBL24462525 | 0.75 | KDM4E (0.44) | DRD2DRD3KDM4ECA2ALDH1A1 |
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 |