Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | 1.00 | MPO (0.63) | MPOKDM4EFAAHBACE1ALDH1A1 | |
| SCHEMBL24673201 | 0.91 | MPO (0.52) | MPOKDM4EFAAHBACE1ALDH1A1 | |
| SCHEMBL24673253 | 0.87 | MPO (0.48) | MPOKDM4EFAAHBACE1ALDH1A1 | |
| SCHEMBL24673202 | 0.81 | MPO (0.39) | MPOKDM4EBACE1ALDH1A1ACHE | |
| SCHEMBL24673250 | 0.81 | SIGMAR1 (0.56) | KDM4EALDH1A1MEN1KMT2AATM | |
| SCHEMBL24672850 | 0.80 | MPO (0.38) | MPOKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL29943098 | 0.80 | MPO (0.38) | MPOKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3967782 | 0.79 | MPO (1.00) | MPOKDM4EFAAHBACE1ALDH1A1 | |
| SCHEMBL9720696 | 0.75 | MPO (0.69) | MPOKDM4EFAAHSLC2A1MEN1 | |
| SCHEMBL9388542 | 0.74 | MPO (0.88) | MPOKDM4EFAAHBACE1ALDH1A1 |
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 |