Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29942565 | 0.85 | ALDH1A1 (0.42) | HTTSMN1; SMN2LMNAMAPTKDM4E | |
| SCHEMBL24673213 | 0.82 | PGK1 (0.45) | HTTSMN1; SMN2KCNH2CACNA1GHDAC6 | |
| SCHEMBL24462542 | 0.77 | HDAC6 (0.46) | SMN1; SMN2LMNAMAPK1MAPTKCNH2 | |
| SCHEMBL24672959 | 0.77 | HDAC6 (0.43) | HTTSMN1; SMN2KCNH2CACNA1GHDAC6 | |
| SCHEMBL15033012 | 0.76 | HRH3 (0.41) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL24672700 | 0.75 | — | — | |
| SCHEMBL3375825 | 0.73 | TSHR (0.50) | HTTMAPTKCNH2POLBHDAC1 | |
| SCHEMBL31219090 | 0.73 | POLB (0.42) | HTTMAPK1MAPTPOLBHDAC1 | |
| SCHEMBL1394535 | 0.73 | KDM4E (0.68) | HTTSMN1; SMN2LMNAKDM4EPOLB | |
| SCHEMBL21797152 | 0.73 | KDM4E (0.68) | HTTSMN1; SMN2LMNAKDM4EPOLB |
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 |