Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 5/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672642 | 0.73 | LMNA (0.39) | BACE1POLBACHEKDM4EALDH1A1 | |
| SCHEMBL25118440 | 0.72 | ALDH1A1 (0.50) | BACE1POLBPRKCIACHEGABRA1 | |
| SCHEMBL22499985 | 0.70 | BACE1 (0.52) | BACE1GABRA1GABRB2CA2CA1 | |
| SCHEMBL22861240 | 0.70 | CA2 (0.46) | CA2CA1CA12CA4ALDH1A1 | |
| SCHEMBL23720439 | 0.69 | BACE1 (0.43) | BACE1POLBPRKCIACHECA2 | |
| SCHEMBL11670339 | 0.69 | OPRK1 (0.52) | DRD2ALOX15DRD3 | |
| SCHEMBL16021957 | 0.67 | BACE1 (0.48) | BACE1GABRA1GABRB2CA2CA1 | |
| Hydrochloric Acid SCHEMBL15688727 | 0.67 | ACHE (0.50) | BACE1POLBPRKCIACHEGABRA1 | |
| SCHEMBL22861236 | 0.66 | HDAC3 (0.46) | CA2CA1CA12CA4ALDH1A1 | |
| SCHEMBL11235291 | 0.66 | KAT8 (0.47) | BACE1ACHECA2KDM4EALDH1A1 |
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 |