Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 3/20 | 0.47 |
| ▸ | PGK2 | P07205 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24673213 | 0.86 | PGK1 (0.45) | PGK1PGK2KDM4EALDH1A1DRD2 | |
| SCHEMBL24672961 | 0.81 | ALDH1A1 (0.43) | PGK1PGK2KDM4EALOX15TSHR | |
| SCHEMBL1394539 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1 | |
| SCHEMBL1394677 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1 | |
| SCHEMBL1394535 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1 | |
| SCHEMBL21797152 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1 | |
| SCHEMBL24672242 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1 | |
| SCHEMBL22014096 | 0.75 | SIGMAR1 (0.49) | KDM4ECYP2D6CYP2C9TSHRALDH1A1 | |
| SCHEMBL24672959 | 0.75 | HDAC6 (0.43) | KDM4EALDH1A1DRD2DRD3HDAC1 | |
| SCHEMBL8040890 | 0.72 | PGK1 (0.66) | PGK1PGK2ACP3 |
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 |