Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24673196 | 0.92 | HDAC1 (0.47) | HDAC4HDAC1KCNH2SMN1; SMN2LMNA | |
| SCHEMBL24673250 | 0.84 | SIGMAR1 (0.56) | SMN1; SMN2LMNAGAAATMMEN1 | |
| SCHEMBL24673327 | 0.82 | POLB (0.53) | SMN1; SMN2LMNAATMMEN1KMT2A | |
| SCHEMBL10074441 | 0.81 | HDAC1 (0.62) | HDAC4HDAC1KCNH2SMN1; SMN2LMNA | |
| SCHEMBL24673209 | 0.80 | PGK1 (0.41) | HDAC4HDAC1KCNH2SMN1; SMN2LMNA | |
| SCHEMBL24673197 | 0.79 | KDM4E (0.45) | MEN1KMT2AALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL27486206 | 0.79 | HRH3 (0.66) | HDAC4HDAC1KCNH2SMN1; SMN2LMNA | |
| SCHEMBL24673260 | 0.77 | APOBEC3A (0.51) | SMN1; SMN2LMNAGAAATMHRH3 | |
| SCHEMBL24672258 | 0.76 | KDM4E (0.51) | HDAC4HDAC1LMNAGAAATM | |
| SCHEMBL27519383 | 0.76 | HDAC4 (0.71) | HDAC4HDAC1KCNH2SMN1; SMN2LMNA |
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 |