Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672677 | 0.87 | MPO (0.63) | MPOKDM4EFAAHALDH1A1BACE1 | |
| SCHEMBL24672676 | 0.87 | MPO (0.63) | MPOKDM4EFAAHALDH1A1BACE1 | |
| SCHEMBL24673201 | 0.84 | MPO (0.52) | MPOKDM4EFAAHADRA2AADRA2B | |
| SCHEMBL24672849 | 0.74 | LMNA (0.47) | KDM4EGAALMNA | |
| SCHEMBL24673202 | 0.71 | MPO (0.39) | MPOKDM4EALDH1A1GAAHTT | |
| SCHEMBL24673250 | 0.70 | SIGMAR1 (0.56) | KDM4EALDH1A1GAALMNA | |
| SCHEMBL29943098 | 0.70 | MPO (0.38) | MPOKDM4EALDH1A1HTT | |
| SCHEMBL24672850 | 0.70 | MPO (0.38) | MPOKDM4EALDH1A1HTT | |
| SCHEMBL3967782 | 0.69 | MPO (1.00) | MPOKDM4EFAAHALDH1A1BACE1 | |
| SCHEMBL24672649 | 0.69 | MPO (0.71) | MPOKDM4EFAAHALDH1A1BACE1 |
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 |