Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | IGF1R | P08069 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1394539 | 0.91 | KDM4E (0.68) | SIGMAR1KDM4EIGF1RLMNAMEN1 | |
| SCHEMBL1394677 | 0.91 | KDM4E (0.68) | SIGMAR1KDM4EIGF1RLMNAMEN1 | |
| SCHEMBL21797152 | 0.91 | KDM4E (0.68) | SIGMAR1KDM4EIGF1RLMNAMEN1 | |
| SCHEMBL24672242 | 0.91 | KDM4E (0.68) | SIGMAR1KDM4EIGF1RLMNAMEN1 | |
| SCHEMBL1394535 | 0.91 | KDM4E (0.68) | SIGMAR1KDM4EIGF1RLMNAMEN1 | |
| SCHEMBL7573306 | 0.84 | SIGMAR1 (0.96) | SIGMAR1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL8145866 | 0.84 | SIGMAR1 (0.96) | SIGMAR1LMNAMEN1KMT2AALDH1A1 | |
| Lactic Acid SCHEMBL27653943 | 0.84 | SIGMAR1 (0.70) | SIGMAR1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL9538814 | 0.82 | SIGMAR1 (0.92) | SIGMAR1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL276363 | 0.82 | SIGMAR1 (1.00) | SIGMAR1LMNAMEN1KMT2AALDH1A1 |
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 |