Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31758131 | 0.79 | MEN1 (0.45) | CYP2D6PADI1PADI4KDM4EALDH1A1 | |
| SCHEMBL840430 | 0.79 | MEN1 (0.40) | CYP2D6PADI1PADI4KDM4EALDH1A1 | |
| SCHEMBL840429 | 0.79 | MEN1 (0.40) | CYP2D6PADI1PADI4KDM4EALDH1A1 | |
| SCHEMBL31757749 | 0.75 | USP2 (0.52) | CYP2D6KDM4EALDH1A1HSD17B10USP2 | |
| SCHEMBL26421960 | 0.74 | ALDH1A1 (0.38) | CYP2D6PADI1PADI4KDM4EALDH1A1 | |
| SCHEMBL21806003 | 0.71 | ABCB1 (0.45) | CYP2D6KDM4EALDH1A1USP2MAPT | |
| SCHEMBL24027253 | 0.71 | ABCB1 (0.45) | CYP2D6KDM4EALDH1A1USP2MAPT | |
| SCHEMBL24672934 | 0.70 | KDM4E (0.62) | KDM4EALDH1A1 | |
| SCHEMBL22354590 | 0.66 | ALDH1A1 (0.41) | CYP2D6KDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL28195478 | 0.64 | CA1 (0.44) | CYP3A4HSD17B10USP2MAPT |
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 |