Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24673213 | 0.85 | PGK1 (0.45) | HDAC6KDM4EALDH1A1POLBDRD2 | |
| SCHEMBL21797152 | 0.78 | KDM4E (0.68) | KDM4EALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL24672242 | 0.78 | KDM4E (0.68) | KDM4EALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL1394539 | 0.78 | KDM4E (0.68) | KDM4EALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL1394535 | 0.78 | KDM4E (0.68) | KDM4EALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL1394677 | 0.78 | KDM4E (0.68) | KDM4EALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL22014464 | 0.78 | HDAC6 (0.52) | HDAC6KDM4EALDH1A1SMN1; SMN2HDAC1 | |
| SCHEMBL24462525 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1POLBDRD2DRD3 | |
| SCHEMBL10903263 | 0.78 | HDAC1 (0.52) | HDAC6KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL24672693 | 0.77 | HTT (0.41) | HDAC6KDM4EALDH1A1POLBDRD2 |
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 |