Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21797152 | 0.90 | KDM4E (0.68) | KDM4EALDH1A1SIGMAR1LMNAPOLB | |
| SCHEMBL1394677 | 0.90 | KDM4E (0.68) | KDM4EALDH1A1SIGMAR1LMNAPOLB | |
| SCHEMBL1394535 | 0.90 | KDM4E (0.68) | KDM4EALDH1A1SIGMAR1LMNAPOLB | |
| SCHEMBL24672242 | 0.90 | KDM4E (0.68) | KDM4EALDH1A1SIGMAR1LMNAPOLB | |
| SCHEMBL1394539 | 0.90 | KDM4E (0.68) | KDM4EALDH1A1SIGMAR1LMNAPOLB | |
| SCHEMBL24672260 | 0.82 | SIGMAR1 (0.68) | KDM4EALDH1A1TSHRSIGMAR1LMNA | |
| SCHEMBL16226080 | 0.81 | SIGMAR1 (0.78) | CHKAALDH1A1TSHRSIGMAR1LMNA | |
| SCHEMBL24672257 | 0.81 | KDM4E (0.56) | KDM4EALDH1A1TSHRSIGMAR1LMNA | |
| SCHEMBL10903263 | 0.80 | HDAC1 (0.52) | KDM4EALDH1A1LMNACYP2D6CYP2C19 | |
| SCHEMBL10702814 | 0.78 | CHKA (0.61) | CHKAALDH1A1TSHRSIGMAR1LMNA |
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 |