Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 4/20 | 0.40 |
| ▸ | PGK2 | P07205 | 4/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672699 | 0.86 | POLB (0.39) | KDM4EALDH1A1PGK1PGK2ACHE | |
| SCHEMBL24673227 | 0.79 | POLB (0.40) | KDM4EBCHEACHEAPPKMT2A | |
| SCHEMBL24672899 | 0.69 | TSHR (0.44) | KDM4EALDH1A1BCHEACHEAPP | |
| SCHEMBL24673000 | 0.69 | GGPS1 (0.35) | — | |
| SCHEMBL24672945 | 0.68 | TSHR (0.43) | KDM4EALDH1A1BCHEACHEAPP | |
| SCHEMBL24673226 | 0.68 | TSHR (0.39) | KDM4EALDH1A1ACHEAPPKMT2A | |
| SCHEMBL22014502 | 0.67 | OPRK1 (0.42) | ALDH1A1HDAC8HDAC6ACHEATM | |
| SCHEMBL24462559 | 0.66 | ACHE (0.41) | KDM4EBCHEACHEAPP | |
| SCHEMBL24672231 | 0.65 | PRKCI (0.40) | KDM4EALDH1A1ACHEKMT2ARECQL | |
| SCHEMBL12960342 | 0.65 | HRH3 (0.63) | ALDH1A1PGK1PGK2ENPP2HRH3 |
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 |