Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672676 | 0.91 | MPO (0.63) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL24672677 | 0.91 | MPO (0.63) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL24672649 | 0.86 | MPO (0.71) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL29943113 | 0.86 | MPO (0.71) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL24672941 | 0.86 | MPO (0.71) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL24673253 | 0.84 | MPO (0.48) | MPOKDM4EFAAHLMNAALDH1A1 | |
| SCHEMBL24673205 | 0.84 | MPO (0.33) | MPOKDM4EDRD2DRD3 | |
| SCHEMBL24672258 | 0.84 | KDM4E (0.51) | KDM4ELMNAALDH1A1MC4RMEN1 | |
| SCHEMBL24672851 | 0.83 | MC4R (0.35) | ADRA2AADRA2BADRA2CDRD2DRD3 | |
| SCHEMBL24673245 | 0.77 | MPO (0.56) | MPOKDM4EFAAHLMNAALDH1A1 |
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 |