Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.64 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
| ▸ | IGF1R | P08069 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | PHGDH | O43175 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1394677 | 1.00 | KDM4E (0.68) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL1394535 | 1.00 | KDM4E (0.68) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL1394539 | 1.00 | KDM4E (0.68) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL21797152 | 1.00 | KDM4E (0.68) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL24672260 | 0.91 | SIGMAR1 (0.68) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL24672246 | 0.90 | CHKA (0.57) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL24672257 | 0.89 | KDM4E (0.56) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL21164624 | 0.86 | KDM4E (0.64) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL1126489 | 0.85 | SIGMAR1 (0.69) | KDM4ESIGMAR1MC4RIGF1RLMNA | |
| SCHEMBL24672258 | 0.85 | KDM4E (0.51) | KDM4ESIGMAR1MC4RIGF1RLMNA |
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 |